Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9743641 | 0.83 | CYP2D6 (0.43) | CYP2D6CYP2C9CYP2C19ALDH1A1CYP3A4 | |
| SCHEMBL9744094 | 0.82 | ALDH1A1 (0.34) | CYP2D6CYP2C9CYP2C19ALDH1A1CYP3A4 | |
| SCHEMBL9743815 | 0.82 | ALDH1A1 (0.34) | CYP2D6CYP2C9CYP2C19ALDH1A1CYP3A4 | |
| SCHEMBL9742592 | 0.80 | CYP2D6 (0.33) | CYP2D6CYP2C9CYP2C19ALDH1A1CYP3A4 | |
| SCHEMBL9743713 | 0.78 | CYP2D6 (0.32) | CYP2D6CYP2C9CYP2C19ALDH1A1CYP3A4 | |
| SCHEMBL9744920 | 0.72 | CYP2D6 (0.43) | CYP2D6CYP2C9CYP2C19TSHR | |
| SCHEMBL8988953 | 0.71 | CYP2D6 (0.30) | CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9743571 | 0.70 | CYP2D6 (0.42) | CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9743517 | 0.70 | CYP2D6 (0.42) | CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8988997 | 0.69 | CYP2D6 (0.31) | CYP2D6CYP2C9CYP2C19 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5175344-A | Anticonvulsants, anxiolytic agents | CIBA-GEIGY CORPORATION (US) | 1992-12-29 | — | — | US | disclosed |
| EP-0233154-B1 | UNSATURATED AMINO-ACIDS | CIBA-GEIGY AG (CH) | 1991-12-18 | — | — | EP | disclosed |
| US-5051413-A | For treatment of ischemia, antispasmodic agents, anticonvulsants and anxiety or manic conditions | CIBA-GEIGY CORPORATION (US) | 1991-09-24 | — | — | US | disclosed |
| EP-0233154-A2 | Unsaturated amino-acids | CIBA-GEIGY AG (CH) | 1987-08-19 | — | — | EP | disclosed |