Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | LAP3 | P28838 | 1/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.34 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.34 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.34 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | METAP1 | P53582 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL9744820 | 1.00 | CYP2D6 (0.55) | CYP2D6CYP2C9CYP2C19LAP3GRIN2D | |
| SCHEMBL9744681 | 0.87 | CYP2D6 (0.42) | CYP2D6CYP2C9CYP2C19LAP3GRIN2D | |
| SCHEMBL9744696 | 0.87 | CYP2D6 (0.42) | CYP2D6CYP2C9CYP2C19LAP3GRIN2D | |
| SCHEMBL9746246 | 0.84 | CYP2D6 (0.40) | CYP2D6CYP2C9CYP2C19LAP3ALDH1A1 | |
| SCHEMBL9746256 | 0.84 | CYP2D6 (0.40) | CYP2D6CYP2C9CYP2C19LAP3ALDH1A1 | |
| SCHEMBL9743658 | 0.83 | CYP2D6 (0.39) | CYP2D6CYP2C9CYP2C19LAP3GRIN2D | |
| SCHEMBL9743040 | 0.83 | LAP3 (0.40) | CYP2D6CYP2C9CYP2C19LAP3 | |
| SCHEMBL9742659 | 0.82 | LAP3 (0.41) | LAP3ALDH1A1 | |
| SCHEMBL9745371 | 0.82 | LAP3 (0.41) | LAP3ALDH1A1 | |
| SCHEMBL9743708 | 0.81 | CYP2D6 (0.37) | CYP2D6CYP2C9CYP2C19LAP3GRIN2D |
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-5175344-A | Anticonvulsants, anxiolytic agents | CIBA-GEIGY CORPORATION (US) | 1992-12-29 | — | — | US | 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-0302826-A2 | Process for the preparation of unsaturated amino acid compounds | CIBA-GEIGY AG (CH) | 1989-02-08 | — | — | EP | disclosed |