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 | |
|---|---|---|---|---|
| ▸ | PIK3CD known ✓ | O00329 | 2/20 | 0.50 |
| ▸ | PRKCI known ✓ | P41743 | 1/20 | 0.44 |
| ▸ | PIK3CA known ✓ | P42336 | 1/20 | 0.41 |
| ▸ | HASPIN | Q8TF76 | 10/20 | 0.50 |
| ▸ | CCNT1 | O60563 | 4/20 | 0.50 |
| ▸ | CDK9 | P50750 | 4/20 | 0.50 |
| ▸ | PIM1 | P11309 | 3/20 | 0.50 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.50 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.46 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.46 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.44 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.42 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.41 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.41 |
| ▸ | CLK1 | P49759 | 1/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7493615 | 0.98 | HASPIN (0.51) | HASPINCCNT1CDK9PIM1PIK3CD | |
| SCHEMBL16241832 | 0.98 | HASPIN (0.51) | HASPINCCNT1CDK9PIM1PIK3CD | |
| SCHEMBL24222501 | 0.81 | PIK3CD (0.61) | CCNT1CDK9PIK3CDPIK3CBPIK3CG | |
| Hydrochloric Acid SCHEMBL2978417 | 0.78 | MAPT (0.49) | HASPINCCNT1CDK9PIM1PIK3CD | |
| Hydrochloric Acid SCHEMBL5532283 | 0.78 | MAPT (0.49) | HASPINCCNT1CDK9PIM1PIK3CD | |
| Hydrochloric Acid SCHEMBL884599 | 0.78 | PDE3B (0.48) | HASPINCCNT1CDK9PIM1PIK3CD | |
| SCHEMBL13548666 | 0.77 | IKBKB (0.49) | HASPINCCNT1CDK9PIM1PIK3CD | |
| Hydrochloric Acid SCHEMBL11172742 | 0.77 | PIK3CD (0.39) | HASPINCCNT1CDK9PIM1PIK3CD | |
| SCHEMBL4036768 | 0.77 | CLK1 (0.57) | HASPINCCNT1CDK9PIM1MAPT | |
| SCHEMBL445516 | 0.77 | CLK1 (0.57) | HASPINCCNT1CDK9PIM1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-1090190-C | Heterocycle-condensed morphinoid derivatives (II) | SMITHKLINE BEECHAM SPA (IT) | 2002-09-04 | — | — | CN | claimed |
| CN-1051086-C | Heterocycle-condensed morphine-like derivatives and uses thereof | SMITHKLINE BEECHAM SPA (IT) | 2000-04-05 | — | — | CN | claimed |
| CN-1161041-A | Heterocycle-condensed morphinoid derivatives | SMITHKLINE BEECHAM FARMA (IT) | 1997-10-01 | — | — | CN | claimed |
| CN-101432011-A | Method for regulating neurotransmitter systems by inducing counteradaptation | ALEXANDER MICHALOW (US) | 2009-05-13 | — | — | CN | disclosed |
| CN-101065014-A | Method for regulating neurotransmitter systems by inducing counteradaptation | ALEXANDER MICHALOW (US) | 2007-10-31 | — | — | CN | disclosed |
| CN-1090190-C | Heterocycle-condensed morphinoid derivatives (II) | SMITHKLINE BEECHAM SPA (IT) | 2002-09-04 | — | — | CN | disclosed |
| CN-1213372-A | Heterocycle-condensed morphinoid derivatives (II) | SMITHKLINE BEECHAM SPA (IT) | 1999-04-07 | — | — | CN | disclosed |
| EP-0880526-A1 | HETEROCYCLE-CONDENSED MORPHINOID DERIVATIVES (II) | Smithkline Beecham S.p.A. (IT) | 1998-12-02 | — | — | EP | disclosed |
| WO-1997025331-A1 | HETEROCYCLE-CONDENSED MORPHINOID DERIVATIVES (II) | SMITHKLINE BEECHAM S.P.A. (IT) | 1997-07-17 | — | — | WO | disclosed |