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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 known ✓ | P21728 | 3/20 | 0.54 |
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.55 |
| ▸ | ABAT | P80404 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | KIF11 | P52732 | 1/20 | 0.48 |
| ▸ | TYR | P14679 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.48 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.44 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.44 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.42 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11476850 | 1.00 | CYP2A6 (0.55) | CYP2A6HSD17B10ALDH5A1ABATDRD1 | |
| SCHEMBL1666706 | 0.97 | CYP2A6 (0.58) | CYP2A6HSD17B10ALDH5A1ABATDRD1 | |
| SCHEMBL25288128 | 0.97 | CYP2A6 (0.58) | CYP2A6HSD17B10ALDH5A1ABATDRD1 | |
| SCHEMBL27335985 | 0.97 | CYP2A6 (0.58) | CYP2A6HSD17B10ALDH5A1ABATDRD1 | |
| SCHEMBL976904 | 0.97 | CYP2A6 (0.58) | CYP2A6HSD17B10ALDH5A1ABATDRD1 | |
| Hydrogen Sulfide SCHEMBL21407995 | 0.93 | CYP2A6 (0.55) | CYP2A6HSD17B10ALDH5A1ABATDRD1 | |
| Hydrochloric Acid SCHEMBL27796624 | 0.91 | DRD1 (0.53) | CYP2A6HSD17B10ALDH5A1ABATDRD1 | |
| Hydrochloric Acid SCHEMBL28807787 | 0.89 | CYP2A6 (0.65) | CYP2A6HSD17B10ALDH5A1ABATALDH1A1 | |
| SCHEMBL4096252 | 0.88 | CYP2A6 (0.50) | CYP2A6HSD17B10ALDH5A1ABATDRD1 | |
| SCHEMBL5711166 | 0.88 | CYP2A6 (0.55) | CYP2A6HSD17B10ALDH5A1ABATDRD1 |
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-1017739-B1 | AROMATIC POLYAMIDE STRUCTURAL COMPOSITES | DU PONT (US) | 2001-12-12 | — | — | EP | disclosed |
| EP-1017739-A1 | AROMATIC POLYAMIDE STRUCTURAL COMPOSITES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2000-07-12 | — | — | EP | disclosed |
| US-5968598-A | AROMATIC POLYAMIDES FOR FIBERS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1999-10-19 | — | — | US | disclosed |
| WO-1999014265-A1 | AROMATIC POLYAMIDE STRUCTURAL COMPOSITES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1999-03-25 | — | — | WO | disclosed |
| US-4839112-A | STACKING PHTHOCYANINE STRONG BRONSTED ACID; SHAPING; SOLIDIFICATION | NORTHWESTERN UNIVERSITY (US) | 1989-06-13 | — | — | US | disclosed |
| US-4622170-A | PORPHYRAZINE, POLYAMIDE AND BRONSTED ACID | NORTHWESTERN UNIVERSITY (US) | 1986-11-11 | — | — | US | disclosed |
| EP-0182784-A1 | COMPOSITE SURGICAL SUTURES | BIORESEARCH INC. (US) | 1986-06-04 | — | — | EP | disclosed |
| US-4563300-A | PORPHYRAZINE AND AROMATIC POLYAMIDE | NORTHWESTERN UNIVERSITY (US) | 1986-01-07 | — | — | US | disclosed |
| US-4563301-A | COFACIALLY STACKED | NORTHWESTERN UNIVERSITY (US) | 1986-01-07 | — | — | US | disclosed |
| WO-1986000020-A1 | COMPOSITE SURGICAL SUTURES | BIORESEARCH INC. (US) | 1986-01-03 | — | — | WO | disclosed |
| US-4226949-A | N-ALKYL POLYAMIDE, DEALKYLATION | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1980-10-07 | — | — | US | disclosed |
| US-RE30352-E | AMIDE OR UREA CONTAINING SALT, SULFURIC ACID, HYDROFLUORIC ACID, OR HALO- OR METHANESULFONIC ACID | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1980-07-29 | — | — | US | disclosed |
| US-4178419-A | DEALKYLATION OF N,N'-DIALKYL AROMATIC POLYAMIDES TO FORM AROMATIC POLYAMIDE FOAMS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1979-12-11 | — | — | US | disclosed |
| US-3966656-A | FIBER AND FILM FORMING | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1976-06-29 | — | — | US | disclosed |