Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.43 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.43 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.43 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.43 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.43 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.43 |
| ▸ | BTN3A1 | O00481 | 4/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL9840981 | 1.00 | CYP2D6 (0.60) | CYP2D6CYP2C9CYP2C19GRIN2DGRIN3B | |
| Hydrochloric Acid SCHEMBL9744234 | 0.99 | CYP2D6 (0.58) | CYP2D6CYP2C9CYP2C19GRIN2DGRIN3B | |
| Hydrochloric Acid SCHEMBL9744246 | 0.99 | CYP2D6 (0.58) | CYP2D6CYP2C9CYP2C19GRIN2DGRIN3B | |
| SCHEMBL9744644 | 0.81 | GRIN2D (0.56) | CYP2D6CYP2C9CYP2C19GRIN2DGRIN3B | |
| SCHEMBL9744634 | 0.81 | GRIN2D (0.56) | CYP2D6CYP2C9CYP2C19GRIN2DGRIN3B | |
| SCHEMBL9744915 | 0.75 | CYP2D6 (1.00) | CYP2D6CYP2C9CYP2C19GRIN2DGRIN3B | |
| SCHEMBL4575812 | 0.75 | CYP2D6 (1.00) | CYP2D6CYP2C9CYP2C19GRIN2DGRIN3B | |
| SCHEMBL9744929 | 0.75 | CYP2D6 (1.00) | CYP2D6CYP2C9CYP2C19GRIN2DGRIN3B | |
| SCHEMBL4575805 | 0.75 | CYP2D6 (1.00) | CYP2D6CYP2C9CYP2C19GRIN2DGRIN3B | |
| SCHEMBL9744133 | 0.74 | CYP2D6 (0.50) | CYP2D6CYP2C9CYP2C19GRIN2DGRIN3B |
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 |