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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 known ✓ | P51681 | 1/20 | 0.47 |
| ▸ | CHRNA7 known ✓ | P36544 | 8/20 | 0.42 |
| ▸ | CHRNB4 known ✓ | P30926 | 8/20 | 0.42 |
| ▸ | CHRNA3 known ✓ | P32297 | 8/20 | 0.42 |
| ▸ | GLA known ✓ | P06280 | 2/20 | 0.38 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 9/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 9/20 | 0.42 |
| ▸ | MAN1B1 | Q9UKM7 | 1/20 | 0.42 |
| ▸ | FUCA1 | P04066 | 2/20 | 0.38 |
| ▸ | GBA1 | P04062 | 2/20 | 0.38 |
| ▸ | GLB1 | P16278 | 1/20 | 0.38 |
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 SCHEMBL2115207 | 1.00 | CCR5 (0.47) | CCR5CHRNB2CHRNA4CHRNA7CHRNB4 | |
| Hydrochloric Acid SCHEMBL14480091 | 1.00 | CCR5 (0.47) | CCR5CHRNB2CHRNA4CHRNA7CHRNB4 | |
| Hydrochloric Acid SCHEMBL2115209 | 1.00 | CCR5 (0.47) | CCR5CHRNB2CHRNA4CHRNA7CHRNB4 | |
| SCHEMBL904296 | 0.97 | — | — | |
| SCHEMBL22795640 | 0.97 | — | — | |
| SCHEMBL28591599 | 0.97 | — | — | |
| SCHEMBL20031517 | 0.97 | — | — | |
| SCHEMBL12350249 | 0.97 | — | — | |
| SCHEMBL12350240 | 0.97 | — | — | |
| SCHEMBL16242374 | 0.97 | — | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220220128-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF | JS INNOPHARM (SHANGHAI) LTD (CN) | 2022-07-14 | — | — | US | disclosed |
| CN-114127080-A | Heterocyclic compounds as kinase inhibitors, compositions comprising the heterocyclic compounds, and methods of use thereof | 捷思英达医药技术（上海）有限公司 | 2022-03-01 | — | — | CN | disclosed |
| EP-3590940-B1 | HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AND RELATED COMPOUNDS AS AUTOTAXIN (ATX) INHIBITORS AND AS INHIBITORS OF THE LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION FOR TREATING E.G. RENAL DISEASES | HOFFMANN LA ROCHE (CH) | 2021-06-09 | — | — | EP | disclosed |
| WO-2020248972-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF | JS INNOPHARM (SHANGHAI) LTD (CN) | 2020-12-17 | — | — | WO | disclosed |
| US-20200339570-A1 | BICYCLIC DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2020-10-29 | — | — | US | disclosed |
| US-10669268-B2 | Bicyclic derivatives | HOFFMANN-LA ROCHE INC. (US) | 2020-06-02 | — | — | US | disclosed |
| EP-2900669-B1 | HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AND RELATED COMPOUNDS AS AUTOTAXIN (ATX) INHIBITORS AND AS INHIBITORS OF THE LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION FOR TREATING E.G. RENAL DISEASES | HOFFMANN LA ROCHE (CH) | 2019-09-04 | — | — | EP | disclosed |
| US-20180118741-A1 | NEW BICYCLIC DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2018-05-03 | — | — | US | disclosed |
| US-20170050960-A1 | NEW BICYCLIC DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2017-02-23 | — | — | US | disclosed |
| US-20150353559-A1 | NEW BICYCLIC DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2015-12-10 | — | — | US | disclosed |
| WO-2015128334-A9 | 3H-THIENO[3,4]PYRIMIDIN-4-ONEAND PYRROLOPYRIMID-4-ONE AS GRAM-POSITIVE ANTIBACTERIAL AGENTS | LABORATOIRE BIODIM (FR) | 2015-10-15 | — | — | WO | disclosed |
| WO-2015128334-A1 | 3H-THIENO[3,4]PYRIMIDIN-4-ONEAND PYRROLOPYRIMID-4-ONE AS GRAM-POSITIVE ANTIBACTERIAL AGENTS | LABORATOIRE BIODIM (FR) | 2015-09-03 | — | — | WO | disclosed |
| EP-2913333-A1 | 3H-thieno[3,4]pyrimidin-4-one and pyrrolopyrimidone as gram-positive antibacterial agents | LABORATOIRE BIODIM (FR) | 2015-09-02 | — | — | EP | disclosed |
| EP-2900669-A1 | NEW BICYCLIC DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2015-08-05 | — | — | EP | disclosed |
| US-8697883-B2 | Cyclopenta[C]pyrrole-2-carboxylate derivatives, preparation thereof and therapeutic use thereof | SANOFI (FR) | 2014-04-15 | — | — | US | disclosed |
| US-20120095040-A1 | CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF | SANOFI (FR) | 2012-04-19 | — | — | US | 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 (7 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-10669268-B2 | Bicyclic derivatives | CCNY, BICRA, UQCRB | CCR5 473/4885CHRNA7 1785/4885CHRNB4 1950/4885 |
| US-20170050960-A1 | NEW BICYCLIC DERIVATIVES | BICRA, CCNY, UQCRB | CCR5 422/4885CHRNA7 1977/4885CHRNB4 2271/4885 |
| US-20180118741-A1 | NEW BICYCLIC DERIVATIVES | BICRA, CCNY, UQCRB | CCR5 422/4885CHRNA7 1977/4885CHRNB4 2271/4885 |
| US-20150353559-A1 | NEW BICYCLIC DERIVATIVES | BICRA, CCNY, UQCRB | CCR5 422/4885CHRNA7 1977/4885CHRNB4 2271/4885 |
| US-20200339570-A1 | BICYCLIC DERIVATIVES | CCNY, BICRA, UQCRB | CCR5 473/4885CHRNA7 1785/4885CHRNB4 1950/4885 |
| US-20120095040-A1 | CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF | EPOR, ACAD9, CBR1 | CCR5 326/4885CHRNA7 491/4885CHRNB4 2610/4885 |
| US-20220220128-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF | RET, BRAF, ROR1 | CCR5 2138/4885CHRNA7 3971/4885CHRNB4 4024/4885 |
“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.