Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 4/20 | 0.37 |
| ▸ | BRD2 | P25440 | 1/20 | 0.37 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.35 |
| ▸ | CCR8 | P51685 | 2/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | COXFA4 | O00483 | 1/20 | 0.35 |
| ▸ | GHSR | Q92847 | 1/20 | 0.35 |
| ▸ | CREBBP | Q92793 | 4/20 | 0.34 |
| ▸ | EP300 | Q09472 | 1/20 | 0.33 |
| ▸ | MGAM | O43451 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | SI | P14410 | 2/20 | 0.33 |
| ▸ | MGAM2 | Q2M2H8 | 2/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | CTSB | P07858 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL18359573 | 0.84 | CYP3A4 (0.41) | BRD4BRD2BRD3CYP3A4CYP2C9 | |
| SCHEMBL18359598 | 0.82 | CYP3A4 (0.41) | BRD4BRD2BRD3CYP3A4CYP2C9 | |
| SCHEMBL18359571 | 0.81 | CYP3A4 (0.43) | BRD4BRD2BRD3CYP3A4CYP2C9 | |
| SCHEMBL20547087 | 0.79 | CYP3A4 (0.42) | BRD4BRD2BRD3CYP3A4CYP2C9 | |
| SCHEMBL18359666 | 0.78 | CYP3A4 (0.48) | BRD4BRD2BRD3CYP3A4CYP2C9 | |
| SCHEMBL18359596 | 0.74 | CYP3A4 (0.41) | BRD4BRD2BRD3CYP3A4CYP2C9 | |
| SCHEMBL18359639 | 0.74 | CYP3A4 (0.44) | BRD4BRD2BRD3CYP3A4CYP2C9 | |
| SCHEMBL20547070 | 0.74 | CYP3A4 (0.41) | BRD4BRD2BRD3CYP3A4CYP2C9 | |
| SCHEMBL18359597 | 0.73 | CYP3A4 (0.40) | BRD4BRD2BRD3CYP3A4CYP2C9 | |
| SCHEMBL16905797 | 0.70 | BRD4 (0.42) | BRD4BRD2BRD3CYP3A4CYP2C9 |
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 |