Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 9/20 | 0.43 |
| ▸ | AR | P10275 | 2/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.34 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 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 | |
|---|---|---|---|---|
| SCHEMBL1275066 | 0.81 | S1PR1 (0.47) | S1PR1ARPGRAKR1C3AKR1C2 | |
| SCHEMBL3409120 | 0.77 | AR (0.46) | S1PR1ARPGRGPBAR1AKR1C3 | |
| SCHEMBL3410427 | 0.73 | ALDH1A1 (0.35) | S1PR1 | |
| SCHEMBL3663442 | 0.71 | MEN1 (0.33) | AR | |
| SCHEMBL4432205 | 0.69 | AR (0.45) | S1PR1ARPGRAKR1C3AKR1C2 | |
| SCHEMBL5541152 | 0.65 | S1PR1 (0.46) | S1PR1GPBAR1AKR1C3AKR1C2 | |
| SCHEMBL8715944 | 0.65 | NOTUM (0.39) | — | |
| SCHEMBL3279036 | 0.63 | HTR2A (0.41) | ARPGR | |
| SCHEMBL26262314 | 0.62 | TRPA1 (0.51) | S1PR1ARPGRAKR1C3AKR1C2 | |
| SCHEMBL27905808 | 0.61 | CYP1A1 (0.43) | ARPGR |
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-2260032-A2 | FUNGICIDAL HETERCYCLIC COMPOUNDS | E. I. du Pont de Nemours and Company (US) | 2010-12-15 | — | — | EP | disclosed |
| WO-2009094445-A2 | FUNGICIDAL HETERCYCLIC COMPOUNDS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2009-07-30 | — | — | WO | disclosed |