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 | |
|---|---|---|---|---|
| ▸ | PARP1 known ✓ | P09874 | 1/20 | 0.50 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.46 |
| ▸ | PPARG known ✓ | P37231 | 1/20 | 0.44 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.59 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.59 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.59 |
| ▸ | CES2 | O00748 | 1/20 | 0.53 |
| ▸ | CES1 | P23141 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 5/20 | 0.50 |
| ▸ | RAB9A | P51151 | 5/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.46 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.46 |
| ▸ | ELANE | P08246 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 1/20 | 0.45 |
| ▸ | AGXT | P21549 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5504569 | 0.98 | PRSS1 (0.61) | PRSS1PRSS2PRSS3CES2CES1 | |
| Hydrochloric Acid SCHEMBL3138169 | 0.86 | PRSS1 (0.50) | PRSS1SMN1; SMN2MEN1KMT2AALDH1A1 | |
| SCHEMBL3731767 | 0.84 | TP53 (0.50) | PRSS1NPC1RAB9ASMN1; SMN2MEN1 | |
| Hydrochloric Acid SCHEMBL1825446 | 0.84 | PRSS1 (0.65) | PRSS1PRSS2PRSS3CES2CES1 | |
| Hydrochloric Acid SCHEMBL3138053 | 0.84 | SMN1; SMN2 (0.49) | PRSS1PRSS2PRSS3NPC1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL3736269 | 0.83 | AKR1C3 (0.53) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL13108721 | 0.83 | DGAT1 (0.52) | NPC1MEN1KMT2AALDH1A1MAPT | |
| SCHEMBL3736270 | 0.81 | AKR1C3 (0.54) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL8552872 | 0.81 | F10 (0.48) | PRSS1TAS1R3TAS1R1ELANE | |
| Hydrochloric Acid SCHEMBL2330251 | 0.80 | TDP1 (0.47) | NPC1RAB9ASMN1; SMN2PARP1ALDH1A1 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8829035-B2 | Agent for treatment or prevention of diseases associated with activity of neurotrophic factors | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2014-09-09 | — | — | US | disclosed |
| US-20120115856-A1 | AGENT FOR TREATMENT OR PREVENTION OF DISEASES ASSOCIATED WITH ACTIVITY OF NEUROTROPHIC FACTORS | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-05-10 | — | — | US | disclosed |
| EP-2069315-B1 | QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES | ORGANON NV (NL) | 2011-09-07 | — | — | EP | disclosed |
| US-7820649-B2 | Quinazolinone and isoquinolinone acetamide derivatives | N.V. ORGANON (NL) | 2010-10-26 | — | — | US | 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 |
| EP-2069315-A2 | QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES | N.V. Organon (NL) | 2009-06-17 | — | — | EP | 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 |
| US-20080090802-A1 | QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES | N.V. ORGANON (NL) | 2008-04-17 | — | — | US | disclosed |
| WO-2008033764-A2 | QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES | N.V. ORGANON (NL) | 2008-03-20 | — | — | WO | 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 |
| WO-2006095014-A1 | 2- (4-0X0-4H-QUINAZ0LIN-3-YL) ACETAMIDES AND THEIR USE AS VASOPRESSIN V3 ANTAGONISTS | N.V. ORGANON (NL) | 2006-09-14 | — | — | WO | 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 (3 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 | PARP1 3690/4885ACHE 2122/4885PPARG 3193/4885 |
| US-20120115856-A1 | AGENT FOR TREATMENT OR PREVENTION OF DISEASES ASSOCIATED WITH ACTIVITY OF NEUROTROPHIC FACTORS | BDNF, NGF, NTRK2 | PARP1 4072/4885ACHE 1626/4885PPARG 1279/4885 |
| US-20080090802-A1 | QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES | NQO2, GATD3, SDHA | PARP1 1382/4885ACHE 372/4885PPARG 178/4885 |
“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.