Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 14/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | BRD2 | P25440 | 3/20 | 0.48 |
| ▸ | BRD3 | Q15059 | 3/20 | 0.48 |
| ▸ | PDE5A | O76074 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 3/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL18359655 | 0.93 | BRD4 (0.51) | BRD4CYP3A4CYP2C9BRD2BRD3 | |
| SCHEMBL18359509 | 0.89 | BRD4 (0.53) | BRD4CYP3A4CYP2C9BRD2BRD3 | |
| SCHEMBL18359549 | 0.88 | BRD4 (0.49) | BRD4CYP3A4CYP2C9BRD2BRD3 | |
| SCHEMBL18359557 | 0.88 | BRD4 (0.52) | BRD4CYP3A4CYP2C9BRD2BRD3 | |
| SCHEMBL20547347 | 0.87 | BRD4 (0.51) | BRD4CYP3A4CYP2C9BRD2BRD3 | |
| SCHEMBL18359548 | 0.86 | BRD4 (0.55) | BRD4CYP3A4CYP2C9BRD2BRD3 | |
| SCHEMBL18359559 | 0.86 | BRD4 (0.49) | BRD4CYP3A4CYP2C9BRD2BRD3 | |
| SCHEMBL20547072 | 0.86 | BRD4 (0.53) | BRD4CYP3A4CYP2C9BRD2BRD3 | |
| SCHEMBL18359528 | 0.85 | BRD4 (0.51) | BRD4CYP3A4CYP2C9BRD2BRD3 | |
| SCHEMBL18359662 | 0.85 | BRD4 (0.50) | BRD4CYP3A4CYP2C9BRD2BRD3 |
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-2017001733-A1 | BICYCLIC HETEROCYCLE DERIVATIVES AS BROMODOMAIN INHIBITORS | ORION CORPORATION (FI) | 2017-01-05 | — | — | WO | disclosed |