Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 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 | |
|---|---|---|---|---|
| SCHEMBL9472706 | 0.89 | CYP2D6 (0.33) | — | |
| SCHEMBL9472801 | 0.82 | NPC1 (0.33) | — | |
| SCHEMBL9472400 | 0.79 | — | — | |
| SCHEMBL9481993 | 0.75 | CYP1A2 (0.38) | CYP1A2CYP2C19KIF11 | |
| SCHEMBL7488075 | 0.75 | CYP2D6 (0.38) | — | |
| SCHEMBL8849619 | 0.75 | CYP2D6 (0.38) | CYP1A2CYP2C19 | |
| SCHEMBL9041679 | 0.73 | — | — | |
| SCHEMBL9039182 | 0.71 | — | — | |
| SCHEMBL9347229 | 0.70 | CYP2D6 (0.54) | CYP1A2CYP2C19 | |
| SCHEMBL9293355 | 0.69 | CTSA (0.31) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5192758-A | Antibiotics | MERCK & CO., INC. (US) | 1993-03-09 | — | — | US | disclosed |