Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 13/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 10/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL2579682 | 0.82 | CYP3A4 (0.59) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL2537798 | 0.81 | CYP3A4 (0.55) | CYP3A4CYP2C9CYP2C19 | |
| Ammonia Solution, Strong SCHEMBL2546398 | 0.80 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL2540422 | 0.77 | CYP2C9 (0.53) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL2537090 | 0.76 | CYP2C9 (0.60) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL2540030 | 0.76 | CYP3A4 (0.62) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL19366349 | 0.76 | CYP3A4 (0.57) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL2542238 | 0.74 | CYP3A4 (0.58) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL1883624 | 0.74 | CYP3A4 (0.76) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL2537966 | 0.74 | CYP2C9 (0.63) | CYP3A4CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2560972-A2 | COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR | Plexxikon, Inc. (US) | 2013-02-27 | — | — | EP | disclosed |
| WO-2011133637-A2 | COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR | PLEXXIKON, INC. (US) | 2011-10-27 | — | — | WO | disclosed |