Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL12365545 | 0.81 | ALDH1A1 (0.38) | CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL12537593 | 0.81 | ERN1 (0.31) | — | |
| SCHEMBL12285748 | 0.73 | — | — | |
| SCHEMBL1219495 | 0.68 | EGFR (0.33) | — | |
| SCHEMBL26051694 | 0.67 | ALDH1A1 (0.33) | CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL12282254 | 0.65 | PIK3CA (0.32) | — | |
| SCHEMBL12537647 | 0.63 | ALDH1A1 (0.40) | — | |
| SCHEMBL12283782 | 0.61 | ACVRL1 (0.31) | — | |
| SCHEMBL24392052 | 0.60 | ALDH1A1 (0.35) | — | |
| SCHEMBL22055531 | 0.60 | ALDH1A1 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007061882-A2 | PYRROLOTRIAZINE KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-05-31 | — | — | WO | disclosed |