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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 6/20 | 0.40 |
| ▸ | SLC6A4 known ✓ | P31645 | 6/20 | 0.40 |
| ▸ | SLC6A3 known ✓ | Q01959 | 5/20 | 0.40 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.40 |
| ▸ | TACR1 known ✓ | P25103 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.33 |
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 SCHEMBL15719747 | 0.87 | RPS6KB1 (0.39) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL15719179 | 0.86 | TDP1 (0.37) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL25302903 | 0.84 | LMNA (0.36) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL30702570 | 0.84 | SLC6A4 (0.53) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL25257619 | 0.82 | SLC6A4 (0.54) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL25299772 | 0.80 | PARP1 (0.36) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL25260486 | 0.80 | LMNA (0.33) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL31068718 | 0.80 | PARP1 (0.36) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL27228876 | 0.80 | GBA1 (0.42) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL15719061 | 0.77 | AOC3 (0.46) | SLC6A2SLC6A4SLC6A3KCNH2SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-10287300-B2 | Heterocyclic derivatives as modulators of kinase activity | MERCK PATENT GMBH (DE) | 2019-05-14 | — | — | US | disclosed |
| US-20180072757-A1 | Novel Heterocyclic Derivatives as Modulators of Kinase Activity | MERCK PATENT GMBH (DE) | 2018-03-15 | — | — | US | disclosed |
| US-9850255-B2 | Heterocyclic derivatives as modulators of kinase activity | MERCK PATENT GMBH (DE) | 2017-12-26 | — | — | US | disclosed |
| US-9580443-B2 | Heterocyclic derivatives as modulators of kinase activity | MERCK PATENT GMBH (DE) | 2017-02-28 | — | — | US | disclosed |
| US-20170015679-A1 | Novel Heterocyclic Derivatives as Modulators of Kinase Activity | MERCK PATENT GMBH (DE) | 2017-01-19 | — | — | US | disclosed |
| EP-2920178-B1 | NOVEL HETEROCYCLIC DERIVATIVES AS MODULATORS OF KINASE ACTIVITY (P70S6 AND AKT) | MERCK PATENT GMBH (DE) | 2016-12-21 | — | — | EP | disclosed |
| US-20150274750-A1 | Novel Heterocyclic Derivatives as Modulators of Kinase Activity | MERCK PATENT GMBH (DE) | 2015-10-01 | — | — | US | disclosed |
| EP-2920178-A1 | NOVEL HETEROCYCLIC DERIVATIVES AS MODULATORS OF KINASE ACTIVITY | Merck Patent GmbH (DE) | 2015-09-23 | — | — | EP | disclosed |
| WO-2014078637-A1 | NOVEL HETEROCYCLIC DERIVATIVES AS MODULATORS OF KINASE ACTIVITY | MERCK PATENT GMBH (DE) | 2014-05-22 | — | — | 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-20170015679-A1 | Novel Heterocyclic Derivatives as Modulators of Kinase Activity | CDK2, MAP4K3, MAP4K2 | SLC6A2 4873/4885SLC6A4 4791/4885SLC6A3 4781/4885 |
| US-20150274750-A1 | Novel Heterocyclic Derivatives as Modulators of Kinase Activity | CDK2, MAP4K3, MAP4K2 | SLC6A2 4873/4885SLC6A4 4791/4885SLC6A3 4781/4885 |
| US-10287300-B2 | Heterocyclic derivatives as modulators of kinase activity | CDK2, MAP4K3, MAP4K2 | SLC6A2 4873/4885SLC6A4 4774/4885SLC6A3 4788/4885 |
| US-20180072757-A1 | Novel Heterocyclic Derivatives as Modulators of Kinase Activity | CDK2, MAP4K3, MAP4K2 | SLC6A2 4873/4885SLC6A4 4791/4885SLC6A3 4781/4885 |
“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.