Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 12/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | BRD2 | P25440 | 1/20 | 0.47 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.47 |
| ▸ | NR3C1 | P04150 | 3/20 | 0.44 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | TAS2R8 | Q9NYW2 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL18359510 | 0.92 | BRD4 (0.49) | BRD4CYP3A4CYP2C9BRD2BRD3 | |
| SCHEMBL18359528 | 0.92 | BRD4 (0.51) | BRD4CYP3A4CYP2C9BRD2BRD3 | |
| SCHEMBL18359561 | 0.92 | BRD4 (0.49) | BRD4CYP3A4CYP2C9BRD2BRD3 | |
| SCHEMBL18359526 | 0.92 | BRD4 (0.49) | BRD4CYP3A4CYP2C9BRD2BRD3 | |
| SCHEMBL18359622 | 0.91 | BRD4 (0.49) | BRD4CYP3A4CYP2C9BRD2BRD3 | |
| SCHEMBL18359662 | 0.89 | BRD4 (0.50) | BRD4CYP3A4CYP2C9BRD2BRD3 | |
| SCHEMBL18359618 | 0.89 | BRD4 (0.47) | BRD4CYP3A4CYP2C9BRD2BRD3 | |
| SCHEMBL18359656 | 0.88 | BRD4 (0.48) | BRD4CYP3A4CYP2C9BRD2BRD3 | |
| SCHEMBL18359652 | 0.88 | BRD4 (0.49) | BRD4CYP3A4CYP2C9BRD2BRD3 | |
| SCHEMBL18359532 | 0.88 | BRD4 (0.49) | 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 |