Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.57 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.57 |
| ▸ | PRKDC | P78527 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | ERN1 | O75460 | 6/20 | 0.55 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 11/20 | 0.41 |
| ▸ | BRD2 | P25440 | 5/20 | 0.41 |
| ▸ | BRD3 | Q15059 | 5/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL18949744 | 0.84 | NR3C1 (0.47) | ERN1NR3C1BRD4BRD2BRD3 | |
| SCHEMBL6040649 | 0.83 | ERN1 (0.59) | KDM4EALDH1A1ERN1NR3C1BRD4 | |
| SCHEMBL16896857 | 0.83 | NR3C1 (0.45) | CYP3A4ERN1NR3C1BRD4BRD2 | |
| SCHEMBL19422771 | 0.81 | BRD4 (0.45) | CYP3A4ERN1NR3C1BRD4BRD2 | |
| SCHEMBL18359658 | 0.80 | ERN1 (0.55) | CYP3A4ERN1NR3C1BRD4BRD2 | |
| SCHEMBL16896861 | 0.78 | BRD4 (0.42) | CYP3A4ERN1NR3C1BRD4BRD2 | |
| SCHEMBL18947830 | 0.78 | ERN1 (0.44) | MAPTERN1NR3C1BRD4BRD2 | |
| SCHEMBL18947829 | 0.76 | ERN1 (0.43) | CYP3A4ERN1NR3C1BRD4BRD2 | |
| SCHEMBL1903461 | 0.75 | TDP1 (0.48) | ALDH1A1MAPTNR3C1BRD4BRD2 | |
| SCHEMBL18947836 | 0.75 | NR3C1 (0.41) | ALDH1A1ERN1NR3C1BRD4BRD2 |
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 |