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 | |
|---|---|---|---|---|
| ▸ | HDAC3 known ✓ | O15379 | 1/20 | 0.49 |
| ▸ | HDAC4 known ✓ | P56524 | 1/20 | 0.49 |
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC7 known ✓ | Q8WUI4 | 1/20 | 0.49 |
| ▸ | HDAC2 known ✓ | Q92769 | 1/20 | 0.49 |
| ▸ | HDAC10 known ✓ | Q969S8 | 1/20 | 0.49 |
| ▸ | HDAC11 known ✓ | Q96DB2 | 1/20 | 0.49 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 1/20 | 0.49 |
| ▸ | HDAC6 known ✓ | Q9UBN7 | 1/20 | 0.49 |
| ▸ | HDAC9 known ✓ | Q9UKV0 | 1/20 | 0.49 |
| ▸ | HDAC5 known ✓ | Q9UQL6 | 1/20 | 0.49 |
| ▸ | FLT4 known ✓ | P35916 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | PKM | P14618 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | NAMPT | P43490 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL30402824 | 1.00 | NPC1 (0.56) | NPC1PKMRAB9ANAMPTALDH1A1 | |
| SCHEMBL2450853 | 1.00 | NPC1 (0.56) | NPC1PKMRAB9ANAMPTALDH1A1 | |
| Bromide SCHEMBL10884497 | 0.98 | NPC1 (0.54) | NPC1PKMRAB9ANAMPTALDH1A1 | |
| SCHEMBL11487834 | 0.87 | RAB9A (0.53) | NPC1PKMRAB9ANAMPTALDH1A1 | |
| SCHEMBL4572898 | 0.84 | RAB9A (0.50) | NPC1PKMRAB9ANAMPTALDH1A1 | |
| SCHEMBL13212361 | 0.84 | NOTUM (0.51) | NPC1PKMRAB9ANAMPTALDH1A1 | |
| Hydrochloric Acid SCHEMBL27795225 | 0.82 | RAB9A (0.51) | NPC1PKMRAB9ANAMPTALDH1A1 | |
| SCHEMBL3208241 | 0.82 | NPC1 (0.53) | NPC1PKMRAB9ANAMPTALDH1A1 | |
| SCHEMBL5691151 | 0.82 | MKNK1 (0.57) | NPC1RAB9ANAMPTALDH1A1LMNA | |
| SCHEMBL12655115 | 0.81 | MAPK1 (0.50) | NPC1PKMRAB9ANAMPTLMNA |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2114906-B1 | 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS | HOFFMANN LA ROCHE (CH) | 2014-08-06 | — | — | EP | disclosed |
| US-8604061-B2 | 2-aminooxazolines as TAAR1 ligands | HOFFMANN-LA ROCHE INC. (US) | 2013-12-10 | — | — | US | disclosed |
| US-20120196903-A1 | 2-AMINOOXAZOLINES AS TAAR1 LIGANDS | GALLEY GUIDO (DE) | 2012-08-02 | — | — | US | disclosed |
| EP-2185503-A1 | MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2010-05-19 | — | — | EP | disclosed |
| US-20100120864-A1 | 2-AMINOOXAZOLINES AS TAAR1 LIGANDS | GALLEY GUIDO | 2010-05-13 | — | — | US | disclosed |
| US-7678913-B2 | Ureas as factor Xa inhibitors | PORTOLA PHARMACEUTICALS, INC. (US) | 2010-03-16 | — | — | US | disclosed |
| EP-2114906-A1 | NOVEL 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS | F. Hoffmann-Roche AG (CH) | 2009-11-11 | — | — | EP | disclosed |
| WO-2009016087-A1 | MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-02-05 | — | — | WO | disclosed |
| US-20090036422-A1 | MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-02-05 | — | — | US | disclosed |
| US-20080261920-A1 | 2-Aminooxazolines as TAAR1 ligands | F. HOFFMANN-LA ROCHE AG (CH) | 2008-10-23 | — | — | US | disclosed |
| WO-2008092785-A1 | NOVEL 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-08-07 | — | — | WO | disclosed |
| US-20060160821-A1 | Ureas as factor Xa inhibitors | PORTOLA PHARMACEUTICALS, INC. (US) | 2006-07-20 | — | — | US | disclosed |
| WO-2006063113-A2 | UREAS AS FACTOR XA INHIBITORS | PORTOLA PHARMACEUTICALS, INC. (US) | 2006-06-15 | — | — | WO | disclosed |
| EP-0187130-A2 | Process for producing N-substituted alpha-amino acids | Monsanto Company (US) | 1986-07-09 | — | — | EP | 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 (5 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-20100120864-A1 | 2-AMINOOXAZOLINES AS TAAR1 LIGANDS | TAAR1, TAAR5, NPY2R | HDAC3 2214/4885HDAC4 2097/4885HDAC1 2006/4885 |
| US-20060160821-A1 | Ureas as factor Xa inhibitors | TFPI, F12, F11 | HDAC3 632/4885HDAC4 1366/4885HDAC1 558/4885 |
| US-20120196903-A1 | 2-AMINOOXAZOLINES AS TAAR1 LIGANDS | TAAR1, TAAR5, NPY2R | HDAC3 2212/4885HDAC4 2123/4885HDAC1 2298/4885 |
| US-20080261920-A1 | 2-Aminooxazolines as TAAR1 ligands | TAAR1, TAAR5, NPY2R | HDAC3 2214/4885HDAC4 2097/4885HDAC1 2006/4885 |
| US-20090036422-A1 | MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS | HCRTR2, HCRTR1, MTNR1A | HDAC3 319/4885HDAC4 835/4885HDAC1 412/4885 |
“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.