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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 known ✓ | P09874 | 5/20 | 0.59 |
| ▸ | HTR1A known ✓ | P08908 | 6/20 | 0.48 |
| ▸ | DRD2 known ✓ | P14416 | 5/20 | 0.48 |
| ▸ | DRD4 known ✓ | P21917 | 4/20 | 0.48 |
| ▸ | HTR1D known ✓ | P28221 | 5/20 | 0.47 |
| ▸ | HTR1B known ✓ | P28222 | 4/20 | 0.47 |
| ▸ | DRD3 known ✓ | P35462 | 2/20 | 0.47 |
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.47 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.47 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.47 |
| ▸ | HTR7 known ✓ | P34969 | 1/20 | 0.47 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.47 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.45 |
| ▸ | MMP12 | P39900 | 1/20 | 0.49 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL4186254 | 0.99 | PARP1 (0.60) | PARP1MMP12HTR1ADRD2DRD4 | |
| SCHEMBL13927875 | 0.86 | PARP1 (0.58) | PARP1MMP12HTR1ADRD2DRD4 | |
| Hydrochloric Acid SCHEMBL4182822 | 0.85 | PARP1 (0.54) | PARP1MMP12HTR1ADRD2DRD4 | |
| SCHEMBL13927883 | 0.84 | PARP1 (0.55) | PARP1MMP12HTR1ADRD2DRD4 | |
| SCHEMBL13927889 | 0.82 | PARP1 (0.60) | PARP1MMP12HTR1ADRD2DRD4 | |
| Hydrochloric Acid SCHEMBL32667443 | 0.81 | PARP1 (0.54) | PARP1MMP12DRD2DRD4NR3C2 | |
| SCHEMBL30683552 | 0.80 | PARP1 (0.56) | PARP1MMP12DRD2DRD4NR3C2 | |
| SCHEMBL17140256 | 0.80 | PARP1 (0.59) | PARP1MMP12DRD2DRD4NR3C2 | |
| SCHEMBL27061922 | 0.79 | PARP1 (0.55) | PARP1MMP12DRD2DRD4NR3C2 | |
| Hydrochloric Acid SCHEMBL6825820 | 0.78 | HTR1A (0.48) | PARP1HTR1ADRD2NR3C2HTR1D |
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 |
|---|---|---|---|---|---|---|---|
| US-7244726-B2 | Heterocyclic compounds possessing affinity at 5HT1 -type receptors and use thereof in therapy | GLAXO GROUP LIMITED (GB) | 2007-07-17 | — | — | US | disclosed |
| EP-1330460-B1 | BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE | SMITHKLINE BEECHAM PLC (GB) | 2007-03-21 | — | — | EP | disclosed |
| EP-1476444-B1 | HETEROCYCLIC COMPOUNDS POSSESSING AFFINITY AT 5HT1-TYPE RECEPTORS AND USE THEREOF IN THERAPY | GLAXO GROUP LTD (GB) | 2006-04-12 | — | — | EP | disclosed |
| US-6939871-B2 | Benzoxazinone derivatives, their preparation and use | SMITHKLINE BEECHAM P.L.C. (GB) | 2005-09-06 | — | — | US | disclosed |
| US-20050085458-A1 | Heterocyclic compounds possessing affinity at 5ht1-type receptors and use thereof in therapy | GLAXO GROUP LIMITED (GB) | 2005-04-21 | — | — | US | disclosed |
| EP-1476444-A1 | HETEROCYCLIC COMPOUNDS POSSESSING AFFINITY AT 5HT1-TYPE RECEPTORS AND USE THEREOF IN THERAPY | GLAXO GROUP LIMITED (GB) | 2004-11-17 | — | — | EP | disclosed |
| US-20040063704-A1 | Benzoxazinone derivatives, their preparation and use | SMITHKLINE BEECHAM P.L.C (GB) | 2004-04-01 | — | — | US | disclosed |
| WO-2003068772-A1 | HETEROCYCLIC COMPOUNDS POSSESSING AFFINITY AT 5HT1-TYPE RECEPTORS AND USE THEREOF IN THERAPY | GLAXO GROUP LIMITED (GB) | 2003-08-21 | — | — | WO | disclosed |
| EP-1330460-A2 | BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE | SMITHKLINE BEECHAM PLC (GB) | 2003-07-30 | — | — | EP | disclosed |
| WO-2002034754-A2 | BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-05-02 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040063704-A1 | Benzoxazinone derivatives, their preparation and use | CYP2B6, CBR1, CYP2A6 | PARP1 865/4885HTR1A 307/4885DRD2 1639/4885 |
| US-20050085458-A1 | Heterocyclic compounds possessing affinity at 5ht1-type receptors and use thereof in therapy | HTR3C, HTR1A, HTR2C | PARP1 2809/4885HTR1A 2/4885DRD2 70/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.