Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19251646 | 0.93 | CNR2 (0.35) | CYP2D6CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL22778501 | 0.89 | CYP19A1 (0.30) | — | |
| SCHEMBL19251223 | 0.82 | CYP1A2 (0.30) | CYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL19387704 | 0.82 | CNR1 (0.33) | CYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL22752306 | 0.81 | CNR1 (0.35) | CYP3A4 | |
| SCHEMBL19251639 | 0.81 | CNR1 (0.35) | CYP3A4 | |
| SCHEMBL22752362 | 0.80 | CYP19A1 (0.35) | — | |
| SCHEMBL19252752 | 0.80 | KMT2A (0.31) | CYP2D6CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL22752214 | 0.79 | CNR2 (0.35) | CYP2D6CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL19251171 | 0.79 | CNR2 (0.35) | CYP2D6CYP1A2CYP2C9CYP2C19CYP3A4 |
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-9732083-B2 | Tricyclic gyrase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-08-15 | — | — | US | disclosed |