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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 2/20 | 0.46 |
| ▸ | S1PR1 known ✓ | P21453 | 1/20 | 0.45 |
| ▸ | GBA1 | P04062 | 1/20 | 0.44 |
| ▸ | SPHK2 | Q9NRA0 | 3/20 | 0.44 |
| ▸ | SPHK1 | Q9NYA1 | 3/20 | 0.44 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1442190 | 1.00 | SIGMAR1 (0.46) | SIGMAR1S1PR1GBA1SPHK2SPHK1 | |
| Hydrochloric Acid SCHEMBL1442192 | 1.00 | SIGMAR1 (0.46) | SIGMAR1S1PR1GBA1SPHK2SPHK1 | |
| SCHEMBL945182 | 0.98 | SIGMAR1 (0.47) | SIGMAR1S1PR1GBA1SPHK2SPHK1 | |
| SCHEMBL945183 | 0.98 | SIGMAR1 (0.47) | SIGMAR1S1PR1GBA1SPHK2SPHK1 | |
| SCHEMBL1880066 | 0.98 | SIGMAR1 (0.47) | SIGMAR1S1PR1GBA1SPHK2SPHK1 | |
| SCHEMBL31048186 | 0.90 | SPHK2 (0.49) | SIGMAR1GBA1SPHK2SPHK1PDK1 | |
| SCHEMBL2465872 | 0.87 | SIGMAR1 (0.54) | SIGMAR1POLB | |
| SCHEMBL2465869 | 0.87 | SIGMAR1 (0.54) | SIGMAR1POLB | |
| Hydrochloric Acid SCHEMBL9674234 | 0.86 | LTA4H (0.41) | SIGMAR1GBA1LTA4H | |
| SCHEMBL14995124 | 0.84 | — | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1569937-B1 | C-6 MODIFIED INDAZOLYLPYRROLOTRIAZINES | BRISTOL MYERS SQUIBB CO (US) | 2011-11-23 | — | — | EP | disclosed |
| CN-101723948-A | C-6 modified indazolylpyrrolotriazines | BRISTOL MYERS SQUIBB CO | 2010-06-09 | — | — | CN | disclosed |
| EP-1694683-A4 | SYNTHETIC PROCESS | BRISTOL MYERS SQUIBB CO (US) | 2009-06-24 | — | — | EP | disclosed |
| EP-1888590-A2 | CRYSTALLINE FORMS OF A PYRROLOTRIAZINE COMPOUND | Brystol-Myers Squibb Company (US) | 2008-02-20 | — | — | EP | disclosed |
| EP-1569937-A4 | C-6 MODIFIED INDAZOLYLPYRROLOTRIAZINES | BRISTOL MYERS SQUIBB CO (US) | 2007-08-08 | — | — | EP | disclosed |
| WO-2006135796-A2 | CRYSTALLINE FORMS OF A PYRROLOTRIAZINE COMPOUND | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-12-21 | — | — | WO | disclosed |
| US-7148220-B2 | C-6 modified indazolylpyrrolotriazines | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-12-12 | — | — | US | disclosed |
| US-7102001-B2 | Process for preparing pyrrolotriazine | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-09-05 | — | — | US | disclosed |
| EP-1694683-A2 | SYNTHETIC PROCESS | Bristol-Myers Squibb Company (US) | 2006-08-30 | — | — | EP | disclosed |
| CN-1726216-A | C-6 modified indazolylpyrrolotriazines | BRISTOL MYERS SQUIBB CO (US) | 2006-01-25 | — | — | CN | disclosed |
| US-20060014741-A1 | Synthetic process, and crystalline forms of a pyrrolotriazine compound | BRISTOL-MYERS SQUIBB COMPANY | 2006-01-19 | — | — | US | disclosed |
| US-20050222153-A1 | C-6 modified indazolylpyrrolotriazines | VITE GREGORY D | 2005-10-06 | — | — | US | disclosed |
| US-20050209454-A1 | Synthetic process | BRISTOL-MYERS SQUIBB COMPANY | 2005-09-22 | — | — | US | disclosed |
| EP-1569937-A2 | C-6 MODIFIED INDAZOLYLPYRROLOTRIAZINES | Bristol-Myers Squibb Company (US) | 2005-09-07 | — | — | EP | disclosed |
| US-6916815-B2 | C-6 modified indazolylpyrrolotriazines | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-07-12 | — | — | US | disclosed |
| WO-2005058245-A2 | SYNTHETIC PROCESS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-06-30 | — | — | WO | disclosed |
| WO-2005007083-A2 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2005-01-27 | — | — | WO | disclosed |
| US-20040142931-A1 | C-6 modified indazolylpyrrolotriazines | BRISTOL-MYERS SQUIBB COMPANY | 2004-07-22 | — | — | US | disclosed |
| WO-2004054514-A2 | C-6 MODIFIED INDAZOLYLPYRROLOTRIAZINES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-07-01 | — | — | 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 (4 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-20050209454-A1 | Synthetic process | ERBB2, EGFR, ERBB4 | SIGMAR1 1969/4885S1PR1 735/4885GBA1 800/4885 |
| US-20050222153-A1 | C-6 modified indazolylpyrrolotriazines | ERBB2, ERBB4, EGFR | SIGMAR1 2295/4885S1PR1 1811/4885GBA1 1633/4885 |
| US-20060014741-A1 | Synthetic process, and crystalline forms of a pyrrolotriazine compound | ERBB2, FGFR1, ERBB4 | SIGMAR1 2166/4885S1PR1 1133/4885GBA1 872/4885 |
| US-20040142931-A1 | C-6 modified indazolylpyrrolotriazines | ERBB2, ERBB4, EGFR | SIGMAR1 2004/4885S1PR1 1461/4885GBA1 1511/4885 |
“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.