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 | |
|---|---|---|---|---|
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.75 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.75 |
| ▸ | PTGS1 known ✓ | P23219 | 2/20 | 0.68 |
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.64 |
| ▸ | PTGS2 known ✓ | P35354 | 2/20 | 0.59 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.59 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.75 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.75 |
| ▸ | MAPT | P10636 | 7/20 | 0.75 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.75 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.75 |
| ▸ | HPGD | P15428 | 3/20 | 0.75 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.75 |
| ▸ | SLC15A2 | Q16348 | 3/20 | 0.75 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.75 |
| ▸ | BLM | P54132 | 1/20 | 0.75 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.75 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.72 |
| ▸ | MEN1 | O00255 | 5/20 | 0.72 |
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 | |
|---|---|---|---|---|
| SCHEMBL11231581 | 0.99 | ALDH1A1 (0.76) | ALDH1A1HSD17B10MAPTKMT2ACYP3A4 | |
| SCHEMBL11154468 | 0.99 | ALDH1A1 (0.76) | ALDH1A1HSD17B10MAPTKMT2ACYP3A4 | |
| SCHEMBL11045122 | 0.99 | ALDH1A1 (0.76) | ALDH1A1HSD17B10MAPTKMT2ACYP3A4 | |
| SCHEMBL10811020 | 0.99 | ALDH1A1 (0.76) | ALDH1A1HSD17B10MAPTKMT2ACYP3A4 | |
| SCHEMBL11802087 | 0.99 | ALDH1A1 (0.76) | ALDH1A1HSD17B10MAPTKMT2ACYP3A4 | |
| SCHEMBL11154449 | 0.99 | ALDH1A1 (0.76) | ALDH1A1HSD17B10MAPTKMT2ACYP3A4 | |
| SCHEMBL11055755 | 0.99 | ALDH1A1 (0.76) | ALDH1A1HSD17B10MAPTKMT2ACYP3A4 | |
| Water SCHEMBL11324180 | 0.98 | HSD17B10 (0.77) | ALDH1A1HSD17B10MAPTKMT2ACYP3A4 | |
| SCHEMBL10839231 | 0.91 | MAPT (0.77) | ALDH1A1HSD17B10MAPTKMT2ACYP3A4 | |
| SCHEMBL10839225 | 0.91 | MAPT (0.77) | ALDH1A1HSD17B10MAPTKMT2ACYP3A4 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4579684-A | Process for the manufacture of enol derivatives | CIBA-GEIGY CORPORATION (US) | 1986-04-01 | — | — | US | disclosed |
| US-4550162-A | Process for the manufacture of enol derivatives | CIBA-GEIGY CORPORATION (US) | 1985-10-29 | — | — | US | disclosed |
| US-4434287-A | Cephalosporin derivatives | CIBA-GEIGY CORPORATION (US) | 1984-02-28 | — | — | US | disclosed |
| US-4319027-A | Process for the manufacture of ceohem enol derivatives | CIBA-GEIGY CORPORATION (US) | 1982-03-09 | — | — | US | disclosed |
| US-4301278-A | BY HYDROGENATION IN THE PRESENCE OF A CATALYST | CIBA-GEIGY CORPORATION (US) | 1981-11-17 | — | — | US | disclosed |
| US-4293462-A | Process for the manufacture of enol derivatives, and intermediates | CIBA-GEIGY CORPORATION (US) | 1981-10-06 | — | — | US | disclosed |
| US-4255328-A | CEPHALOSPORINS | CIBA-GEIGY CORPORATION (US) | 1981-03-10 | — | — | US | disclosed |
| US-4147864-A | Process for the manufacture of 7β-amino-3-cephem-3-ol-4 carboxylic acid compounds | CIBA-GEIGY CORPORATION (US) | 1979-04-03 | — | — | US | disclosed |
| US-4110533-A | PROCESS FOR THE MANUFACTURE OF ENOL DERIVATIVES | CIBA-GEIGY CORPORATION (US) | 1978-08-29 | — | — | US | disclosed |