Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | LAP3 | P28838 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.36 |
| ▸ | P2RY10 | O00398 | 4/20 | 0.36 |
| ▸ | GPR34 | Q9UPC5 | 1/20 | 0.36 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.35 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
| ▸ | TSPO | P30536 | 1/20 | 0.35 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9746256 | 1.00 | CYP2D6 (0.40) | CYP2D6CYP2C9CYP2C19ATMALDH1A1 | |
| SCHEMBL9743034 | 0.95 | LAP3 (0.40) | CYP2D6CYP2C9CYP2C19LAP3P2RY10 | |
| SCHEMBL9743040 | 0.95 | LAP3 (0.40) | CYP2D6CYP2C9CYP2C19LAP3P2RY10 | |
| SCHEMBL9742668 | 0.94 | LAP3 (0.41) | ALDH1A1LAP3P2RY10GPR34S1PR2 | |
| SCHEMBL9745371 | 0.94 | LAP3 (0.41) | ALDH1A1LAP3P2RY10GPR34S1PR2 | |
| SCHEMBL9745364 | 0.94 | LAP3 (0.41) | ALDH1A1LAP3P2RY10GPR34S1PR2 | |
| SCHEMBL9742659 | 0.94 | LAP3 (0.41) | ALDH1A1LAP3P2RY10GPR34S1PR2 | |
| SCHEMBL9744696 | 0.91 | CYP2D6 (0.42) | CYP2D6CYP2C9CYP2C19ALDH1A1LAP3 | |
| SCHEMBL9744681 | 0.91 | CYP2D6 (0.42) | CYP2D6CYP2C9CYP2C19ALDH1A1LAP3 | |
| SCHEMBL9744820 | 0.84 | CYP2D6 (0.55) | CYP2D6CYP2C9CYP2C19ALDH1A1LAP3 |
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 5 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-0302826-A2 | Process for the preparation of unsaturated amino acid compounds | CIBA-GEIGY AG (CH) | 1989-02-08 | — | — | EP | disclosed |
| EP-0233154-A2 | Unsaturated amino-acids | CIBA-GEIGY AG (CH) | 1987-08-19 | — | — | EP | disclosed |