Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 14/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | BRD2 | P25440 | 2/20 | 0.46 |
| ▸ | BRD3 | Q15059 | 2/20 | 0.46 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.42 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | TAS2R8 | Q9NYW2 | 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 | |
|---|---|---|---|---|
| SCHEMBL18359630 | 0.91 | BRD4 (0.47) | BRD4CYP3A4CYP2C9BRD2BRD3 | |
| SCHEMBL18359584 | 0.86 | BRD4 (0.52) | BRD4CYP3A4CYP2C9BRD2BRD3 | |
| SCHEMBL16896809 | 0.85 | BRD4 (0.41) | BRD4CYP3A4CYP2C9BRD2BRD3 | |
| SCHEMBL16896774 | 0.83 | BRD4 (0.57) | BRD4CYP3A4CYP2C9BRD2BRD3 | |
| SCHEMBL16896919 | 0.77 | BRD4 (0.47) | BRD4CYP3A4CYP2C9BRD2BRD3 | |
| SCHEMBL18359595 | 0.76 | FFAR1 (0.42) | BRD4CYP3A4CYP2C9BRD2BRD3 | |
| SCHEMBL20547087 | 0.76 | CYP3A4 (0.42) | BRD4CYP3A4CYP2C9BRD2BRD3 | |
| SCHEMBL20495558 | 0.75 | BRD4 (0.40) | BRD4CYP3A4CYP2C9BRD2BRD3 | |
| SCHEMBL16896785 | 0.75 | BRD4 (0.57) | BRD4CYP3A4CYP2C9BRD2BRD3 | |
| SCHEMBL16896928 | 0.75 | BRD4 (0.40) | 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 |