Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARA | P10276 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HNF4A | P41235 | 1/20 | 0.33 |
| ▸ | RARB | P10826 | 4/20 | 0.32 |
| ▸ | RXRA | P19793 | 4/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | RARG | P13631 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11210750 | 0.83 | ACHE (0.36) | RARACYP3A4CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL11214138 | 0.81 | CYP3A4 (0.33) | RARACYP3A4CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL11214331 | 0.75 | RXRA (0.49) | RARACYP3A4CYP2D6CYP2C19NPSR1 | |
| SCHEMBL8851470 | 0.69 | RXRA (0.49) | RARAMEN1KMT2ARARBRXRA | |
| SCHEMBL17968225 | 0.68 | RXRA (0.49) | RARAMEN1KMT2ARARBRXRA | |
| SCHEMBL11258404 | 0.68 | RXRA (0.35) | RARAMEN1KMT2ARARBRXRA | |
| SCHEMBL13668260 | 0.68 | RXRA (0.46) | RARACYP3A4MEN1KMT2ARARB | |
| SCHEMBL13668270 | 0.67 | RXRA (0.36) | RARACYP3A4MEN1KMT2ARARB | |
| SCHEMBL14885189 | 0.66 | AKR1C2 (0.41) | CYP3A4MEN1KMT2AMAPTMAPK1 | |
| SCHEMBL13668265 | 0.66 | FTO (0.33) | RARACYP3A4CYP2D6CYP2C19CYP1A2 |
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-4326055-A | ANTITUMOR AGENTS, SKIN DISORDERS, RHEUMATIC DISEASES | HOFFMANN-LA ROCHE INC. (US) | 1982-04-20 | — | — | US | disclosed |
| EP-0002742-B1 | STILBENE DERIVATIVES, THEIR PREPARATION AND MEDICINES CONTAINING THESE STILBENE DERIVATIVES | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1982-04-14 | — | — | EP | disclosed |
| EP-0002742-A1 | Stilbene derivatives, their preparation and medicines containing these stilbene derivatives | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1979-07-11 | — | — | EP | disclosed |