Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | LAP3 | P28838 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | METAP1 | P53582 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ANPEP | P15144 | 3/20 | 0.33 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9003813 | 1.00 | CYP2D6 (0.44) | CYP2D6CYP2C9CYP2C19LAP3ALDH1A1 | |
| SCHEMBL9003541 | 0.78 | SLC1A3 (0.48) | — | |
| SCHEMBL9003604 | 0.78 | SLC1A3 (0.48) | — | |
| SCHEMBL9003529 | 0.78 | SLC1A3 (0.48) | — | |
| SCHEMBL20640447 | 0.77 | CYP2D6 (0.53) | CYP2D6CYP2C9CYP2C19LAP3ALDH1A1 | |
| SCHEMBL9003702 | 0.77 | CYP2D6 (0.53) | CYP2D6CYP2C9CYP2C19LAP3ALDH1A1 | |
| SCHEMBL9003713 | 0.77 | CYP2D6 (0.53) | CYP2D6CYP2C9CYP2C19LAP3ALDH1A1 | |
| SCHEMBL1557218 | 0.77 | CYP2D6 (0.46) | CYP2D6CYP2C9CYP2C19LAP3ALDH1A1 | |
| Phosphoric Acid SCHEMBL28734810 | 0.77 | SLC7A5 (0.47) | CYP2D6CYP2C9CYP2C19LAP3METAP1 | |
| SCHEMBL9003846 | 0.76 | SLC15A1 (0.47) | LAP3ALDH1A1TSHRANPEP |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5538958-A | NMDA antagonists | MERRELL PHARMACEUTICALS INC. (US) | 1996-07-23 | — | — | US | disclosed |
| US-5500419-A | NMDA antagonists | MERRELL DOW PHARMACEUTICALS INC. (US) | 1996-03-19 | — | — | US | disclosed |
| EP-0418863-B1 | NMDA antagonists | MERRELL DOW PHARMA (US) | 1995-01-04 | — | — | EP | disclosed |
| US-5326756-A | R-4-oxo-5 phosphononorvaline used as NMDA antagonists | MERRELL DOW PHARMACEUTICALS INC. (US) | 1994-07-05 | — | — | US | disclosed |
| US-5095009-A | NMDA antagonists | MERRELL DOW PHARMACEUTICALS INC. (US) | 1992-03-10 | — | — | US | disclosed |
| EP-0418863-A2 | NMDA antagonists | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-03-27 | — | — | EP | disclosed |