Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 6/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 6/20 | 0.38 |
| ▸ | CMA1 | P23946 | 6/20 | 0.35 |
| ▸ | GCGR | P47871 | 4/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL474508 | 0.84 | SRD5A2 (0.41) | AKR1C3AKR1C2GCGRBRD4BRPF1 | |
| SCHEMBL12163988 | 0.79 | RORC (0.35) | AKR1C3AKR1C2CMA1BRD4BRPF1 | |
| SCHEMBL474584 | 0.79 | RORC (0.35) | AKR1C3AKR1C2CMA1BRD4BRPF1 | |
| SCHEMBL474325 | 0.78 | CMA1 (0.36) | AKR1C2CMA1CYP2C19BRD4BRPF1 | |
| SCHEMBL12163974 | 0.78 | CMA1 (0.36) | AKR1C2CMA1CYP2C19BRD4BRPF1 | |
| SCHEMBL474600 | 0.76 | CMA1 (0.36) | AKR1C3AKR1C2CMA1CYP2C19BRD4 | |
| SCHEMBL474419 | 0.76 | GRIK1 (0.36) | AKR1C3AKR1C2CMA1BRD4BRPF1 | |
| SCHEMBL12163989 | 0.76 | GRIK1 (0.36) | AKR1C3AKR1C2CMA1BRD4BRPF1 | |
| SCHEMBL474247 | 0.75 | TNKS2 (0.39) | AKR1C3AKR1C2GCGRBRD4BRPF1 | |
| SCHEMBL12163997 | 0.75 | TNKS2 (0.39) | AKR1C3AKR1C2GCGRBRD4BRPF1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2411365-A1 | 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2012-02-01 | — | — | EP | disclosed |
| WO-2010108903-A1 | 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-09-30 | — | — | WO | disclosed |