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 | |
|---|---|---|---|---|
| ▸ | KCNQ2 known ✓ | O43526 | 1/20 | 0.51 |
| ▸ | HCRTR1 known ✓ | O43613 | 1/20 | 0.47 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.43 |
| ▸ | HTR7 known ✓ | P34969 | 1/20 | 0.41 |
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.64 |
| ▸ | THPO | P40225 | 1/20 | 0.64 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8295650 | 0.98 | ALDH1A1 (0.66) | MAPK1ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL18189026 | 0.83 | ALDH1A1 (0.67) | MAPK1ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL30710552 | 0.83 | ALDH1A1 (0.67) | MAPK1ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8860187 | 0.81 | ALDH1A1 (0.66) | MAPK1ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| Linopirdine SCHEMBL360113 | 0.80 | MAPK1 (0.97) | MAPK1ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8873154 | 0.80 | ALDH1A1 (0.61) | MAPK1ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL8874374 | 0.79 | MAPK1 (0.55) | MAPK1ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| Water SCHEMBL9388270 | 0.79 | MAPK1 (0.61) | MAPK1ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL8806606 | 0.79 | MAPK1 (0.95) | MAPK1ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| Water SCHEMBL9388278 | 0.79 | MAPK1 (0.61) | MAPK1ALDH1A1CYP1A2CYP3A4CYP2C9 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0532054-B1 | Process for preparing alpha,alpha-disubstituted aromatics and heteroaromatics as cognition enhancers | DU PONT PHARM CO (US) | 1999-06-09 | — | — | EP | disclosed |
| US-5434264-A | α,α-disubstituted aromatics and heteroaromatics as cognition enhancers | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-07-18 | — | — | US | disclosed |
| US-5300642-A | α, α-disubstituted aromatics and heteroaromatics as cognition enhancers | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-04-05 | — | — | US | disclosed |
| EP-0532054-A1 | Process for preparing alpha,alpha-disubstituted aromatics and heteroaromatics as cognition enhancers | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-03-17 | — | — | EP | disclosed |
| US-5173489-A | α,α-disubstituted aromatics and heteroaromatics as cognition enhancers | THE DUPONT MERCK PHARMACEUTICAL CO. (US) | 1992-12-22 | — | — | US | disclosed |
| EP-0241006-B1 | 3,3-DISUBSTITUTED INDOLINES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1990-02-28 | — | — | EP | disclosed |
| US-4876259-A | NEUROLOGICAL DISORDERS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1989-10-24 | — | — | US | disclosed |
| EP-0311010-A2 | Alpha,Alpha-disubstituted aromatics and heteroaromatics as cognition enhancers | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1989-04-12 | — | — | EP | disclosed |
| US-4760083-A | Treating cognitive or neurological dysfunction in mammal | E. I. DUPONT DE NEMOURS & COMPANY (US) | 1988-07-26 | — | — | US | disclosed |
| EP-0241006-A2 | 3,3-Disubstituted indolines | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1987-10-14 | — | — | EP | disclosed |