Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | FBP1 | P09467 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | DAO | P14920 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8616678 | 1.00 | AHR (0.56) | AHRCYP1A2ALOX5PTGS1PTGS2 | |
| SCHEMBL9162737 | 1.00 | AHR (0.56) | AHRCYP1A2ALOX5PTGS1PTGS2 | |
| SCHEMBL152100 | 0.84 | MAOB (0.33) | AHRCYP1A2ALOX5PTGS1PTGS2 | |
| SCHEMBL210914 | 0.84 | MAOB (0.33) | AHRCYP1A2ALOX5PTGS1PTGS2 | |
| SCHEMBL260347 | 0.84 | AHR (0.74) | AHRCYP1A2ALOX5PTGS1PTGS2 | |
| SCHEMBL1795502 | 0.84 | AHR (0.74) | AHRCYP1A2ALOX5PTGS1PTGS2 | |
| SCHEMBL20582895 | 0.84 | AHR (0.74) | AHRCYP1A2ALOX5PTGS1PTGS2 | |
| SCHEMBL9679429 | 0.84 | AHR (0.74) | AHRCYP1A2ALOX5PTGS1PTGS2 | |
| SCHEMBL699666 | 0.84 | AHR (0.74) | AHRCYP1A2ALOX5PTGS1PTGS2 | |
| SCHEMBL9679426 | 0.84 | AHR (0.74) | AHRCYP1A2ALOX5PTGS1PTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0632017-B1 | N-phenyl-2-cyano-3-hydroxy propenamides, their tautomeres and salts, their use as medicaments and compositions containing them | HOECHST MARION ROUSSEL INC (FR) | 1998-05-06 | — | — | EP | disclosed |
| US-5416112-A | Antiinflammatory agents | ROUSSEL UCLAF (FR) | 1995-05-16 | — | — | US | disclosed |
| EP-0632017-A1 | N-phenyl-2-cyano-3-hydroxy propenamides, their tautomeres and salts, their use as medicaments and compositions containing them | ROUSSEL UCLAF (FR) | 1995-01-04 | — | — | EP | disclosed |