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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.43 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.43 |
| ▸ | GAA known ✓ | P10253 | 3/20 | 0.41 |
| ▸ | GLA known ✓ | P06280 | 1/20 | 0.39 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.41 |
| ▸ | PLA2G2A | P14555 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2076694 | 0.98 | SLC6A4 (0.44) | SLC6A4SLC6A3FFAR4LOXL2PLA2G2A | |
| Trifluoroacetic Acid SCHEMBL2525985 | 0.90 | FFAR4 (0.43) | SLC6A4SLC6A3FFAR4LOXL2PLA2G2A | |
| SCHEMBL2292462 | 0.85 | SLC6A4 (0.44) | SLC6A4SLC6A3FFAR4PLA2G2AGAA | |
| SCHEMBL19245119 | 0.85 | SLC6A4 (0.46) | SLC6A4SLC6A3FFAR4PLA2G2AGAA | |
| Hydrochloric Acid SCHEMBL1654687 | 0.84 | TSHR (0.51) | ALDH1A1HSD17B10TSHRKDM4EMAPT | |
| Hydrochloric Acid SCHEMBL4770593 | 0.83 | MAPK8 (0.43) | SLC6A4KEAP1 | |
| SCHEMBL11925272 | 0.83 | TSHR (0.52) | ALDH1A1HSD17B10TSHRKDM4EMAPT | |
| SCHEMBL1435113 | 0.82 | SLC6A4 (0.44) | SLC6A4SLC6A3FFAR4PLA2G2AALDH1A1 | |
| SCHEMBL29604367 | 0.82 | SLC6A4 (0.44) | SLC6A4SLC6A3FFAR4PLA2G2AALDH1A1 | |
| SCHEMBL6755715 | 0.81 | MAPK8 (0.44) | SLC6A4KEAP1 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2675803-A1 | MACROCYCLIC INTEGRASE INHIBITORS FOR USE IN THE TREATMENT OF FELINE IMMUNODEFICIENCY VIRUS | Elanco Animal Health Ireland Limited (IE) | 2013-12-25 | — | — | EP | disclosed |
| EP-2488521-B1 | MACROCYCLIC INTEGRASE INHIBITORS | ELANCO ANIMAL HEALTH IRELAND (IE) | 2013-12-18 | — | — | EP | disclosed |
| US-20130296330-A1 | MACROCYCLIC INTEGRASE INHIBITORS FOR USE IN THE TREATMENT OF FELINE IMMUNODEFICIENCY VIRUS | ELANCO ANIMAL HEALTH IRELAND LIMITED (US) | 2013-11-07 | — | — | US | disclosed |
| US-8497270-B2 | Macrocyclic integrase inhibitors | ELANCO ANIMAL HEALTH IRELAND LIMITED (US) | 2013-07-30 | — | — | US | disclosed |
| WO-2012112345-A1 | MACROCYCLIC INTEGRASE INHIBITORS FOR USE IN THE TREATMENT OF FELINE IMMUNODEFICIENCY VIRUS | ELANCO ANIMAL HEALTH IRELAND LIMITED (US) | 2012-08-23 | — | — | WO | disclosed |
| EP-2487176-A1 | Macrocyclic integrase inhibitors for use in the treatment of feline immunodeficiency virus | Elanco Animal Health Ireland Limited (IE) | 2012-08-15 | — | — | EP | disclosed |
| US-20120172367-A1 | MACROCYCLIC INTEGRASE INHIBITORS | ELANCO ANIMAL HEALTH IRELAND LIMITED (US) | 2012-07-05 | — | — | US | disclosed |
| US-20110144069-A1 | COMPOUNDS FOR TREATING VIRAL INFECTIONS | MYRIAD GENETICS, INCORPORATED (US) | 2011-06-16 | — | — | US | disclosed |
| EP-1758585-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2009-07-22 | — | — | EP | disclosed |
| US-20090105203-A1 | COMPOUNDS FOR TREATING VIRAL INFECTIONS | MYRIAD GENETICS, INCORPORATED (US) | 2009-04-23 | — | — | US | disclosed |
| US-7476666-B2 | HIV integrase inhibitors | MERCK & CO., INC. (US) | 2009-01-13 | — | — | US | disclosed |
| WO-2008115281-A2 | COMPOUNDS FOR TREATING VIRAL INFECTIONS | MYRIAD GENETICS, INC. (US) | 2008-09-25 | — | — | WO | disclosed |
| US-20080207573-A1 | COMPOUNDS FOR TREATING VIRAL INFECTIONS | MYRIAD GENETICS, INCORPORATED (US) | 2008-08-28 | — | — | US | disclosed |
| US-20080015187-A1 | Hiv Integrase Inhibitors | MERCK SHARP & DOHME CORP. | 2008-01-17 | — | — | US | disclosed |
| EP-1758585-A2 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2007-03-07 | — | — | EP | disclosed |
| WO-2005120516-A2 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2005-12-22 | — | — | WO | disclosed |
| WO-2003077857-A2 | N-(SUBSTITUTED BENZYL)-8-HYDROXY-1,6-NAPHTHYRIDINE-7- CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2003-09-25 | — | — | 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 (6 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-20130296330-A1 | MACROCYCLIC INTEGRASE INHIBITORS FOR USE IN THE TREATMENT OF FELINE IMMUNODEFICIENCY VIRUS | FIP1L1, PIM1, TYMP | SLC6A4 3571/4885SLC6A3 4280/4885GAA 260/4885 |
| US-20120172367-A1 | MACROCYCLIC INTEGRASE INHIBITORS | CCNI, CCNY, CDK7 | SLC6A4 3747/4885SLC6A3 3779/4885GAA 2567/4885 |
| US-20090105203-A1 | COMPOUNDS FOR TREATING VIRAL INFECTIONS | HAVCR2, MAVS, CCL11 | SLC6A4 4165/4885SLC6A3 4304/4885GAA 48/4885 |
| US-20080207573-A1 | COMPOUNDS FOR TREATING VIRAL INFECTIONS | HAVCR2, MAVS, CCL11 | SLC6A4 4165/4885SLC6A3 4304/4885GAA 48/4885 |
| US-20110144069-A1 | COMPOUNDS FOR TREATING VIRAL INFECTIONS | HAVCR2, MAVS, CCL11 | SLC6A4 4165/4885SLC6A3 4304/4885GAA 48/4885 |
| US-20080015187-A1 | Hiv Integrase Inhibitors | REV1, ZC3HAV1, PNP | SLC6A4 4247/4885SLC6A3 4241/4885GAA 2879/4885 |
“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.