Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 16/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.49 |
| ▸ | BRD2 | P25440 | 5/20 | 0.49 |
| ▸ | BRD3 | Q15059 | 5/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CACNA1A | O00555 | 1/20 | 0.38 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CCL2 | P13500 | 1/20 | 0.38 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.38 |
| ▸ | TACR1 | P25103 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL18359554 | 0.96 | BRD4 (0.48) | BRD4CYP3A4CYP2C9BRD2BRD3 | |
| SCHEMBL18359543 | 0.91 | BRD4 (0.48) | BRD4CYP3A4CYP2C9BRD2BRD3 | |
| SCHEMBL18359558 | 0.88 | BRD4 (0.49) | BRD4CYP3A4CYP2C9BRD2BRD3 | |
| SCHEMBL18359548 | 0.87 | BRD4 (0.55) | BRD4CYP3A4CYP2C9BRD2BRD3 | |
| SCHEMBL20547072 | 0.85 | BRD4 (0.53) | BRD4CYP3A4CYP2C9BRD2BRD3 | |
| SCHEMBL18359509 | 0.85 | BRD4 (0.53) | BRD4CYP3A4CYP2C9BRD2BRD3 | |
| SCHEMBL20547340 | 0.84 | BRD4 (0.61) | BRD4CYP3A4CYP2C9BRD2BRD3 | |
| SCHEMBL18359655 | 0.84 | BRD4 (0.51) | BRD4CYP3A4CYP2C9BRD2BRD3 | |
| SCHEMBL18359661 | 0.84 | BRD4 (0.52) | BRD4CYP3A4CYP2C9BRD2BRD3 | |
| SCHEMBL18359557 | 0.84 | BRD4 (0.52) | 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 |