Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL8988947 | 1.00 | CYP2D6 (0.32) | CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8989124 | 0.94 | CYP2D6 (0.30) | CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8988946 | 0.91 | CYP2D6 (0.30) | CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8988981 | 0.86 | CYP2D6 (0.30) | CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8988840 | 0.86 | TDP1 (0.30) | — | |
| SCHEMBL8988862 | 0.84 | CYP2D6 (0.30) | CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8988812 | 0.83 | CYP2D6 (0.31) | CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8988987 | 0.83 | CYP2D6 (0.31) | CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8989092 | 0.83 | CTSB (0.38) | — | |
| SCHEMBL9743571 | 0.82 | CYP2D6 (0.42) | CYP2D6CYP2C9CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5488140-A | ANTICONVULSANTS | CIBA-GEIGY CORPORATION (US) | 1996-01-30 | — | — | US | disclosed |
| US-5294734-A | 1-phosphato-4-amino-pent-2-enoic acids and derivatives | CIBA-GEIGY CORP. (US) | 1994-03-15 | — | — | US | disclosed |