Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Hydrogen Sulfide. 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 | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 3/20 | 0.36 |
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.61 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
| ▸ | PTPRC | P08575 | 1/20 | 0.39 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.39 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.39 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.38 |
| ▸ | WNT3A | P56704 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10230281 | 0.80 | CYP2A6 (0.46) | CYP2A6IDO1DYRK1APTPRCPTPN6 | |
| SCHEMBL29469368 | 0.76 | CYP2A6 (0.66) | CYP2A6DYRK1APTPRCPTPN6PTPN11 | |
| SCHEMBL8051994 | 0.76 | CYP2A6 (0.66) | CYP2A6DYRK1APTPRCPTPN6PTPN11 | |
| SCHEMBL202744 | 0.76 | CYP2A6 (0.66) | CYP2A6DYRK1APTPRCPTPN6PTPN11 | |
| SCHEMBL1863293 | 0.76 | CYP2A6 (0.66) | CYP2A6DYRK1APTPRCPTPN6PTPN11 | |
| Hydrochloric Acid SCHEMBL23088146 | 0.74 | CYP2A6 (0.96) | CYP2A6DYRK1APTPRCPTPN6PTPN11 | |
| Hydrochloric Acid SCHEMBL31305343 | 0.74 | CYP2A6 (0.63) | CYP2A6DYRK1APTPRCPTPN6PTPN11 | |
| SCHEMBL14756142 | 0.73 | CYP2A6 (0.72) | CYP2A6DYRK1APTPRCPTPN6PTPN11 | |
| SCHEMBL48139 | 0.73 | CYP2A6 (0.61) | CYP2A6DYRK1APTPRCPTPN6PTPN11 | |
| SCHEMBL2091182 | 0.73 | CYP2A6 (0.61) | CYP2A6DYRK1APTPRCPTPN6PTPN11 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050288376-A1 | Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides | SMITHKLINE BEECHAM PLC | 2005-12-29 | — | — | US | disclosed |
| EP-1289980-B1 | BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES | SMITHKLINE BEECHAM PLC (GB) | 2004-11-17 | — | — | EP | disclosed |
| US-20040024066-A1 | Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides | SMITHKLINE BEECHAM P.L.C. (GB) | 2004-02-05 | — | — | 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 (2 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-20050288376-A1 | Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides | CD22, CD2, NEU3 | CA12 158/4885CA2 1247/4885CYP2A6 486/4885 |
| US-20040024066-A1 | Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides | CD22, CD2, NEU3 | CA12 132/4885CA2 1162/4885CYP2A6 459/4885 |
“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.