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 | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.61 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 1/20 | 0.48 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.46 |
| ▸ | HSP90AA1 known ✓ | P07900 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 3/20 | 0.95 |
| ▸ | CA12 | O43570 | 2/20 | 0.61 |
| ▸ | CA1 | P00915 | 2/20 | 0.61 |
| ▸ | CA4 | P22748 | 2/20 | 0.61 |
| ▸ | CA7 | P43166 | 2/20 | 0.61 |
| ▸ | CA9 | Q16790 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.59 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | CA6 | P23280 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL144989 | 0.98 | POLB (1.00) | POLBCA12CA1CA2CA4 | |
| SCHEMBL29380162 | 0.98 | POLB (1.00) | POLBCA12CA1CA2CA4 | |
| SCHEMBL9136394 | 0.95 | POLB (0.95) | POLBCA12CA1CA2CA4 | |
| SCHEMBL9132867 | 0.95 | POLB (0.95) | POLBCA12CA1CA2CA4 | |
| SCHEMBL9133015 | 0.95 | POLB (0.95) | POLBCA12CA1CA2CA4 | |
| SCHEMBL28550182 | 0.95 | POLB (0.95) | POLBCA12CA1CA2CA4 | |
| SCHEMBL9134919 | 0.95 | POLB (0.95) | POLBCA12CA1CA2CA4 | |
| SCHEMBL9134295 | 0.95 | POLB (0.95) | POLBCA12CA1CA2CA4 | |
| SCHEMBL28576293 | 0.95 | POLB (0.95) | POLBCA12CA1CA2CA4 | |
| SCHEMBL9136280 | 0.95 | POLB (0.95) | POLBCA12CA1CA2CA4 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1860100-B1 | 2-(1H-indolylsulfanyl)-benzyl amine derivatives as SSRI | LUNDBECK & CO AS H (DK) | 2011-03-02 | — | — | EP | disclosed |
| US-7737171-B2 | Uses of 2-(1H-indolylsulfanyl)-benzyl amine derivatives as SSRIS | H. LUNDBECK A/S (DK) | 2010-06-15 | — | — | US | disclosed |
| US-7737170-B2 | Uses of 2-(1H-indolylsulfanyl)-benzyl amine derivatives as SSRIS | H. LUNDBECK A/S (DK) | 2010-06-15 | — | — | US | disclosed |
| US-7652150-B2 | 2-(1H-indolylsulfanyl)-benzyl amine derivatives as SSRIs | H. LUNDBECK A/S (DK) | 2010-01-26 | — | — | US | disclosed |
| US-7563908-B2 | 2-(1H-indolylsulfanyl)-benzyl amine derivatives as SSRI | H. LUNDBECK A/S (DK) | 2009-07-21 | — | — | US | disclosed |
| US-20080214644-A1 | 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRI | H. LUNDBECK A/S (DK) | 2008-09-04 | — | — | US | disclosed |
| US-20080214645-A1 | USES OF 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRIS | H. LUNDBECK A/S (DK) | 2008-09-04 | — | — | US | disclosed |
| US-20080176922-A1 | USES OF 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRIS | H. LUNDBECK A/S (DK) | 2008-07-24 | — | — | US | disclosed |
| EP-1701940-B1 | 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRI | LUNDBECK & CO AS H (DK) | 2008-05-28 | — | — | EP | disclosed |
| EP-1860100-A2 | 2-(1H-indolylsulfanyl)-benzyl amine derivatives as SSRI | H. Lundbeck A/S (DK) | 2007-11-28 | — | — | EP | disclosed |
| EP-1701940-A1 | 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRI | H.Lundbeck A/S (DK) | 2006-09-20 | — | — | EP | disclosed |
| US-20060160880-A1 | 2-(1H-indolylsulfanyl)-benzyl amine derivatives as SSRI | H. LUNDBECK A/S (DK) | 2006-07-20 | — | — | US | disclosed |
| WO-2005061455-A1 | 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRI | H. LUNDBECK A/S (DK) | 2005-07-07 | — | — | 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-20060160880-A1 | 2-(1H-indolylsulfanyl)-benzyl amine derivatives as SSRI | TPH1, TPH2, HTR2B | CA2 4491/4885HDAC8 1332/4885GAA 2574/4885 |
| US-20080176922-A1 | USES OF 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRIS | TPH2, TPH1, HTR1B | CA2 3028/4885HDAC8 965/4885GAA 1405/4885 |
| US-20080214645-A1 | USES OF 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRIS | TPH2, TPH1, HTR1B | CA2 3028/4885HDAC8 965/4885GAA 1405/4885 |
| US-20080214644-A1 | 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRI | TPH2, TPH1, HTR2B | CA2 4268/4885HDAC8 1159/4885GAA 1664/4885 |
“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.