Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.43 |
| ▸ | BRD4 | O60885 | 10/20 | 0.41 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.41 |
| ▸ | BRD2 | P25440 | 6/20 | 0.40 |
| ▸ | BRD3 | Q15059 | 5/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | LPAR5 | Q9H1C0 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18359598 | 0.88 | CYP3A4 (0.41) | CYP3A4CYP2C9BRD4CREBBPBRD2 | |
| SCHEMBL18359573 | 0.87 | CYP3A4 (0.41) | CYP3A4CYP2C9BRD4CREBBPBRD2 | |
| SCHEMBL18359666 | 0.86 | CYP3A4 (0.48) | CYP3A4CYP2C9BRD4BRD2BRD3 | |
| SCHEMBL18359639 | 0.83 | CYP3A4 (0.44) | CYP3A4CYP2C9BRD4BRD2BRD3 | |
| SCHEMBL20547087 | 0.82 | CYP3A4 (0.42) | CYP3A4CYP2C9BRD4BRD2BRD3 | |
| SCHEMBL18359594 | 0.81 | OPRM1 (0.38) | CYP3A4CYP2C9BRD4CREBBPBRD2 | |
| SCHEMBL18359596 | 0.79 | CYP3A4 (0.41) | CYP3A4CYP2C9BRD4BRD2BRD3 | |
| SCHEMBL20547070 | 0.78 | CYP3A4 (0.41) | CYP3A4CYP2C9BRD4CREBBPBRD2 | |
| SCHEMBL18359597 | 0.77 | CYP3A4 (0.40) | CYP3A4CYP2C9BRD4CREBBPBRD2 | |
| SCHEMBL18359549 | 0.75 | BRD4 (0.49) | CYP3A4CYP2C9BRD4CREBBPBRD2 |
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 |