Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.42 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.38 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.36 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | TYR | P14679 | 1/20 | 0.34 |
| ▸ | ALDH5A1 | P51649 | 2/20 | 0.33 |
| ▸ | ABAT | P80404 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | PNMT | P11086 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TRIM24 | O15164 | 2/20 | 0.33 |
| ▸ | TRIM33 | Q9UPN9 | 2/20 | 0.33 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8747844 | 0.77 | AKR1C3 (0.47) | ALDH1A1HSD17B10KDM4E | |
| SCHEMBL3583315 | 0.76 | ALDH1A1 (0.47) | ALDH1A1CYP2A6CYP2A13ALDH1A3ALDH3A1 | |
| SCHEMBL3576599 | 0.73 | ALDH1A1 (0.44) | ALDH1A1CYP2A6CYP2A13ALDH1A3ALDH3A1 | |
| SCHEMBL13947217 | 0.72 | CYP2A6 (0.44) | ALDH1A1CYP2A6CYP2A13ALDH1A3ALDH3A1 | |
| SCHEMBL8747855 | 0.71 | — | — | |
| SCHEMBL7024676 | 0.69 | STS (0.36) | ALDH1A1CYP2A6ALDH1A3ALDH3A1HPGD | |
| SCHEMBL9251166 | 0.69 | GSK3B (0.43) | ALDH1A1HPGD | |
| SCHEMBL5177793 | 0.69 | CYP2A6 (0.46) | ALDH1A1CYP2A6CYP2A13ALDH1A3ALDH3A1 | |
| SCHEMBL28948602 | 0.68 | ALDH1A1 (0.42) | ALDH1A1CYP2A6CYP2A13ALDH1A3ALDH3A1 | |
| SCHEMBL547745 | 0.67 | ALDH1A1 (0.37) | ALDH1A1CYP2A6CYP2A13TYRALDH5A1 |
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-0599732-B1 | Derivatives of 1-phenylbicyclo-2,2,2-octane, their preparation process and pharmaceutical compositions containing them | ADIR (FR) | 1997-03-12 | — | — | EP | disclosed |
| US-5403953-A | Antiarthritic and -inflammatory agents | ADIR ET COMPAGNIE (FR) | 1995-04-04 | — | — | US | disclosed |
| EP-0599732-A1 | Derivatives of 1-phenylbicyclo-2,2,2-octane, their preparation process and pharmaceutical compositions containing them | ADIR ET COMPAGNIE (FR) | 1994-06-01 | — | — | EP | disclosed |