Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.36 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.36 |
| ▸ | OTC | P00480 | 1/20 | 0.36 |
| ▸ | ANPEP | P15144 | 1/20 | 0.34 |
| ▸ | ENO1 | P06733 | 1/20 | 0.33 |
| ▸ | LAP3 | P28838 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20640411 | 1.00 | CYP2D6 (0.39) | CYP2D6CYP2C9CYP2C19GRIN2DGRIN3B | |
| SCHEMBL9003696 | 1.00 | CYP2D6 (0.39) | CYP2D6CYP2C9CYP2C19GRIN2DGRIN3B | |
| SCHEMBL9003713 | 0.84 | CYP2D6 (0.53) | CYP2D6CYP2C9CYP2C19GRIN2DGRIN3B | |
| SCHEMBL20640447 | 0.84 | CYP2D6 (0.53) | CYP2D6CYP2C9CYP2C19GRIN2DGRIN3B | |
| SCHEMBL9003702 | 0.84 | CYP2D6 (0.53) | CYP2D6CYP2C9CYP2C19GRIN2DGRIN3B | |
| SCHEMBL21557288 | 0.76 | TDP1 (0.38) | CA2KMT2ATDP1 | |
| SCHEMBL1431004 | 0.76 | OTC (0.47) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL8467545 | 0.76 | OTC (0.47) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL31301851 | 0.76 | ANPEP (0.39) | CYP2D6CYP2C9CYP2C19ANPEPLAP3 | |
| SCHEMBL195547 | 0.76 | OTC (0.47) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B |
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 |