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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.31 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.31 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.30 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.30 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.30 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.30 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.30 |
| ▸ | ADRA1B known ✓ | P35368 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | KCNT1 | Q5JUK3 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.30 |
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 SCHEMBL314390 | 0.81 | POLB (0.35) | DRD2ADRA1DADRA1AADRA1B | |
| Hydrochloric Acid SCHEMBL1646198 | 0.80 | LMNA (0.33) | LMNAMAPTALOX12HTTSMN1; SMN2 | |
| SCHEMBL1646201 | 0.79 | LMNA (0.33) | LMNAMAPTALOX12HTTSMN1; SMN2 | |
| SCHEMBL1244265 | 0.71 | SMN1; SMN2 (0.33) | LMNAMAPTALOX12HTTSMN1; SMN2 | |
| SCHEMBL28592354 | 0.68 | ADRA1D (0.34) | ADRA1DADRA1AADRA1B | |
| SCHEMBL20345312 | 0.68 | MAPT (0.36) | MAPTSMN1; SMN2DRD2ADRA1DADRA1A | |
| SCHEMBL2157339 | 0.67 | TSHR (0.32) | SMN1; SMN2TSHRHTR2AHTR2CHTR2B | |
| SCHEMBL29618000 | 0.67 | MAPT (0.32) | MAPTDRD2ADRA1DADRA1AADRA1B | |
| SCHEMBL27432840 | 0.65 | KCNT1 (0.31) | KCNT1 | |
| SCHEMBL20345372 | 0.65 | CYP19A1 (0.37) | LMNAMAPTHTTSMN1; SMN2TSHR |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8299021-B2 | Macrocyclic inhibitors of hepatitis C virus replication | INTERMUNE, INC. (US) | 2012-10-30 | — | — | US | disclosed |
| US-20120208995-A1 | NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION | ARRAY BIOPHARMA, INC. (US) | 2012-08-16 | — | — | US | disclosed |
| EP-2305697-A2 | Macrocyclic inhibitors of Hepatitis C virus replication | Intermune, Inc. (US) | 2011-04-06 | — | — | EP | disclosed |
| EP-2305695-A2 | Macrocyclic inhibitors of Hepatitis C virus replication | Intermune, Inc. (US) | 2011-04-06 | — | — | EP | disclosed |
| EP-2305696-A2 | Macrocyclic inhibitors of Hepatitis C virus replication | Intermune, Inc. (US) | 2011-04-06 | — | — | EP | disclosed |
| EP-2305698-A2 | Macrocyclic inhibitors of Hepatitis C virus replication | Intermune, Inc. (US) | 2011-04-06 | — | — | EP | disclosed |
| EP-2177523-A1 | Novel macrocyclic inhibitors of hepatitis c virus replication | Intermune, Inc. (US) | 2010-04-21 | — | — | EP | disclosed |
| EP-2160392-A2 | NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION | Intermune, Inc. (US) | 2010-03-10 | — | — | EP | disclosed |
| EP-2103623-A2 | Novel macrocyclic inhibitors of Hepatitis C virus replication | Intermune, Inc. (US) | 2009-09-23 | — | — | EP | disclosed |
| US-20090169510-A1 | NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2009-07-02 | — | — | US | disclosed |
| US-20090155209-A1 | NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. | 2009-06-18 | — | — | US | disclosed |
| US-20090148407-A1 | Novel Macrocyclic Inhibitors of Hepatitis C Virus Replication | INTERMUNE, INC. (US) | 2009-06-11 | — | — | US | disclosed |
| WO-2008137779-A2 | NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2008-11-13 | — | — | WO | disclosed |
| US-20070054842-A1 | Novel macrocyclic inhibitors of hepatitis C virus replication | ARRAY BIOPHARMA, INC. | 2007-03-08 | — | — | 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 (5 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-20090169510-A1 | NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION | EIF2AK2, HAVCR2, HCCS | SLC6A2 4853/4885SLC6A4 4848/4885SLC6A3 4870/4885 |
| US-20070054842-A1 | Novel macrocyclic inhibitors of hepatitis C virus replication | EIF2AK2, HAVCR2, HCCS | SLC6A2 4853/4885SLC6A4 4848/4885SLC6A3 4870/4885 |
| US-20120208995-A1 | NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION | EIF2AK2, HAVCR2, HCCS | SLC6A2 4853/4885SLC6A4 4848/4885SLC6A3 4870/4885 |
| US-20090148407-A1 | Novel Macrocyclic Inhibitors of Hepatitis C Virus Replication | EIF2AK2, HAVCR2, HCCS | SLC6A2 4844/4885SLC6A4 4842/4885SLC6A3 4864/4885 |
| US-20090155209-A1 | NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION | EIF2AK2, HAVCR2, HCCS | SLC6A2 4857/4885SLC6A4 4866/4885SLC6A3 4870/4885 |
“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.