Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | PPARA | Q07869 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 2/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.43 |
| ▸ | TACR2 | P21452 | 2/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL18508834 | 0.81 | TRPA1 (0.45) | CYP3A4MAPK1SLC6A3ALDH1A1KDM4E | |
| SCHEMBL7940582 | 0.80 | PPARG (0.45) | PTGS2CYP3A4HPGDPPARAALDH1A1 | |
| SCHEMBL1236537 | 0.76 | CNR1 (0.51) | PTGS2CYP3A4HTTNPC1HPGD | |
| SCHEMBL18508458 | 0.74 | CA1 (0.30) | — | |
| SCHEMBL7472414 | 0.73 | HTR1B (0.51) | PTGS2CYP3A4ESR1ADRA2AADORA3 | |
| SCHEMBL6356508 | 0.73 | PTGS2 (0.65) | PTGS2CYP3A4HTTNPC1HPGD | |
| SCHEMBL28493440 | 0.72 | HTR1B (0.50) | PTGS2CYP3A4PPARAESR1ADRA2A | |
| SCHEMBL23923849 | 0.72 | ALDH1A1 (0.56) | PTGS2CYP3A4HTTNPC1HPGD | |
| SCHEMBL5790435 | 0.71 | PTGS2 (0.67) | PTGS2CYP3A4HTTNPC1HPGD | |
| SCHEMBL5788838 | 0.71 | PTGS2 (0.67) | PTGS2CYP3A4HTTNPC1HPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0834508-B1 | Substituted biphenyl or phenylpyridine derivatives, process for their preparation and pharmaceutical compositions containing them | ADIR (FR) | 2001-08-16 | — | — | EP | disclosed |
| EP-0834508-A1 | Substituted biphenyl or phenylpyridine derivatives, process for their preparation and pharmaceutical compositions containing them | ADIR ET COMPAGNIE (FR) | 1998-04-08 | — | — | EP | disclosed |