Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 5/20 | 0.43 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.42 |
| ▸ | PARP1 known ✓ | P09874 | 1/20 | 0.41 |
| ▸ | ESR1 known ✓ | P03372 | 2/20 | 0.39 |
| ▸ | ESR2 known ✓ | Q92731 | 2/20 | 0.39 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 5/20 | 0.43 |
| ▸ | CA9 | Q16790 | 5/20 | 0.43 |
| ▸ | CA1 | P00915 | 4/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | CA7 | P43166 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL13108721 | 0.86 | DGAT1 (0.52) | DGAT1CA12CA2CA9CA1 | |
| Hydrochloric Acid SCHEMBL2330251 | 0.83 | TDP1 (0.47) | DGAT1ALDH1A1ACHEKDM4EPARP1 | |
| Hydrochloric Acid SCHEMBL4822185 | 0.81 | C1S (0.53) | DGAT1ALDH1A1KDM4EPARP1NPC1 | |
| Hydrochloric Acid SCHEMBL4748347 | 0.81 | KDM4E (0.46) | CA12CA2CA9CA1CA14 | |
| SCHEMBL10040531 | 0.81 | TDP1 (0.49) | DGAT1ALDH1A1ACHEKDM4EPARP1 | |
| Hydrochloric Acid SCHEMBL336974 | 0.80 | DGAT1 (0.50) | DGAT1ALDH1A1NPC1RAB9ALMNA | |
| Hydrochloric Acid SCHEMBL3131879 | 0.80 | CYP4F2 (0.49) | DGAT1CA2 | |
| Hydrochloric Acid SCHEMBL2828807 | 0.80 | DGAT1 (0.44) | DGAT1CA12CA2CA9CA1 | |
| Hydrochloric Acid SCHEMBL1544955 | 0.80 | DGAT1 (0.51) | DGAT1ALDH1A1CYP3A4KDM4EPARP1 | |
| Hydrochloric Acid SCHEMBL1811818 | 0.80 | LMNA (0.52) | DGAT1ALDH1A1ACHEPARP1NPC1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8067586-B2 | Fused heteroaryl derivatives | ASTELLAS PHARMA INC. (JP) | 2011-11-29 | — | — | US | disclosed |
| EP-1277738-B1 | CONDENSED HETEROARYL DERIVATIVES | ASTELLAS PHARMA INC (JP) | 2011-03-30 | — | — | EP | disclosed |
| US-7807686-B2 | 2-(4-oxo-4H-quinazolin-3-yl)acetamides and their use as vasopressin V3 antagonists | N.V. ORGANON (NL) | 2010-10-05 | — | — | US | disclosed |
| EP-1861380-B1 | 2-(4-OXO-4H-QUINAZOLIN-3-YL)ACETAMIDES AND THEIR USE AS VASOPRESSIN V3 ANTAGONISTS | ORGANON NV (NL) | 2010-07-07 | — | — | EP | disclosed |
| US-20100137584-A1 | FUSED HETEROARYL DERIVATIVES | HAYAKAWA MASAHIKO | 2010-06-03 | — | — | US | disclosed |
| US-20100137585-A1 | FUSED HETEROARYL DERIVATIVES | HAYAKAWA MASAHIKO | 2010-06-03 | — | — | US | disclosed |
| US-20080214553-A1 | 2-(4-Oxo-4H-Quinazolin-3-Yl) Acetamides and Their Use as Vasopressin V3 Antagonists | MERCK SHARP & DOHME B.V. (NL) | 2008-09-04 | — | — | US | disclosed |
| EP-1861380-A1 | 2-(4-OXO-4H-QUINAZOLIN-3-YL)ACETAMIDES AND THEIR USE AS VASOPRESSIN V3 ANTAGONISTS | N.V. Organon (NL) | 2007-12-05 | — | — | EP | disclosed |
| US-20070037805-A1 | Fused heteroaryl derivatives | HAYAKAWA MASAHIKO | 2007-02-15 | — | — | US | disclosed |
| US-7173029-B2 | Fused heteroaryl derivatives | ASTELLAS PHARMA INC. (JP) | 2007-02-06 | — | — | US | disclosed |
| US-20060058321-A1 | Fused heterolaryl derivatives | HAYAKAWA MASAHIKO | 2006-03-16 | — | — | US | disclosed |
| US-20050014771-A1 | Fused heteroaryl derivatives | ASTELLAS PHARMA INC. (JP) | 2005-01-20 | — | — | US | disclosed |
| US-6838457-B2 | Fused heteroaryl derivatives | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 2005-01-04 | — | — | US | disclosed |
| US-6770641-B2 | Fused heteroaryl derivatives | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 2004-08-03 | — | — | US | disclosed |
| US-20040009978-A1 | Fused heteroaryl derivatives | ASTELLAS PHARMA INC. (JP) | 2004-01-15 | — | — | US | disclosed |
| US-20030236271-A1 | Fused heteroaryl derivatives | ASTELLAS PHARMA INC. (JP) | 2003-12-25 | — | — | US | disclosed |
| US-6608056-B1 | Phosphatidylinositol 3-kinase inhibitors and carcinostatic agents | YAMANOUCHI PHARMACEUTICAL CO., LTD (JP) | 2003-08-19 | — | — | US | disclosed |
| US-6608053-B2 | Phosphatidylinositol 3-kinase (PI3K) inhibitors/anticancer agents such as N-(2-(3-benzenesulfonylaminophenyl)-4-morphoniloquinazolin-6-yl)acetamide | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 2003-08-19 | — | — | US | disclosed |
| EP-1277738-A1 | CONDENSED HETEROARYL DERIVATIVES | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 2003-01-22 | — | — | EP | disclosed |
| US-20020151544-A1 | Fused heteroaryl derivatives | ASTELLAS PHARMA INC. (JP) | 2002-10-17 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20080214553-A1 | 2-(4-Oxo-4H-Quinazolin-3-Yl) Acetamides and Their Use as Vasopressin V3 Antagonists | AVPR2, AVPR1A, AVPR1B | CA2 432/4885ACHE 2122/4885PARP1 3690/4885 |
| US-20030236271-A1 | Fused heteroaryl derivatives | PIK3CD, PIK3R3, PIK3C2A | CA2 1572/4885ACHE 4792/4885PARP1 1165/4885 |
| US-20040009978-A1 | Fused heteroaryl derivatives | PIK3CD, PIK3R3, PIK3C2A | CA2 1572/4885ACHE 4792/4885PARP1 1165/4885 |
| US-20100137584-A1 | FUSED HETEROARYL DERIVATIVES | PIK3CD, PIK3R3, PIK3C2A | CA2 1572/4885ACHE 4792/4885PARP1 1165/4885 |
| US-20060058321-A1 | Fused heterolaryl derivatives | PIK3CD, PIK3C2A, PIK3R1 | CA2 1146/4885ACHE 4849/4885PARP1 1154/4885 |
| US-20070037805-A1 | Fused heteroaryl derivatives | PIK3CD, PIK3R3, PIK3C2A | CA2 1572/4885ACHE 4792/4885PARP1 1165/4885 |
| US-20100137585-A1 | FUSED HETEROARYL DERIVATIVES | PIK3CD, PIK3R3, PIK3C2A | CA2 1572/4885ACHE 4792/4885PARP1 1165/4885 |
| US-20020151544-A1 | Fused heteroaryl derivatives | PIK3CD, PIK3R3, PIK3C2A | CA2 1572/4885ACHE 4792/4885PARP1 1165/4885 |
| US-20050014771-A1 | Fused heteroaryl derivatives | PIK3CD, PIK3R3, PIK3C2A | CA2 1572/4885ACHE 4792/4885PARP1 1165/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.