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 | |
|---|---|---|---|---|
| ▸ | GRIN2D known ✓ | O15399 | 4/20 | 0.39 |
| ▸ | GRIN3B known ✓ | O60391 | 4/20 | 0.39 |
| ▸ | GRIN1 known ✓ | Q05586 | 4/20 | 0.39 |
| ▸ | GRIN2A known ✓ | Q12879 | 4/20 | 0.39 |
| ▸ | GRIN2B known ✓ | Q13224 | 4/20 | 0.39 |
| ▸ | GRIN2C known ✓ | Q14957 | 4/20 | 0.39 |
| ▸ | GRIN3A known ✓ | Q8TCU5 | 4/20 | 0.39 |
| ▸ | ADRA2A known ✓ | P08913 | 2/20 | 0.39 |
| ▸ | ADRA2B known ✓ | P18089 | 2/20 | 0.39 |
| ▸ | ADRA2C known ✓ | P18825 | 2/20 | 0.39 |
| ▸ | GAA known ✓ | P10253 | 2/20 | 0.38 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 2/20 | 0.36 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.35 |
| ▸ | CACNA1C known ✓ | Q13936 | 1/20 | 0.35 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.35 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.35 |
| ▸ | ADRA1B known ✓ | P35368 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11882144 | 0.74 | NPC1 (0.50) | ALDH1A1SMN1; SMN2ADRA2AADRA2BADRA2C | |
| SCHEMBL1021207 | 0.74 | LMNA (0.33) | ALDH1A1ADRA2AADRA2CHTTGAA | |
| SCHEMBL11883574 | 0.74 | PLAU (0.50) | ALDH1A1ADRA2AADRA2BADRA2CGAA | |
| SCHEMBL11882766 | 0.71 | PLAU (0.49) | ALDH1A1ADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL11883015 | 0.71 | PLAU (0.47) | ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL11881826 | 0.71 | SLC22A2 (0.47) | ADRA2AADRA2BADRA2CHIF1ANOS3 | |
| Hydrochloric Acid SCHEMBL9045265 | 0.70 | PLAU (0.43) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| Hydrochloric Acid SCHEMBL6981827 | 0.70 | GAA (0.50) | ALDH1A1SMN1; SMN2HTTGAAALOX12 | |
| SCHEMBL6895537 | 0.68 | LMNA (0.44) | ALDH1A1HTTGAAALOX12HIF1A | |
| SCHEMBL29661836 | 0.68 | LMNA (0.44) | ALDH1A1HTTGAAALOX12HIF1A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6342503-B1 | ANTIDEPRESSANTS, EATING DISORDERS | DUPONT PHARMACEUTICALS COMPANY | 2002-01-29 | — | — | US | disclosed |
| US-6107301-A | PSYCHOLOGICAL DISORDERS | DUPONT PHARMACEUTICALS COMPANY (US) | 2000-08-22 | — | — | US | disclosed |
| US-6103737-A | Aryl- and arylamino- substituted heterocycles as corticotropin releasing hormone antagonists | DUPONT PHARMACEUTICALS COMPANY (US) | 2000-08-15 | — | — | US | disclosed |
| EP-0994860-A1 | ARYL-AND ARYLAMINO-SUBSTITUTED HETEROCYCLES AS CORTICOTROPIN RELEASING HORMONE ANTAGONISTS | Du Pont Pharmaceuticals Company (US) | 2000-04-26 | — | — | EP | disclosed |
| WO-1999001439-A1 | ARYL-AND ARYLAMINO-SUBSTITUTED HETEROCYCLES AS CORTICOTROPIN RELEASING HORMONE ANTAGONISTS | DU PONT PHARMACEUTICALS COMPANY (US) | 1999-01-14 | — | — | WO | disclosed |
| WO-1995010506-A1 | 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-04-20 | — | — | WO | disclosed |