Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR1A | P37288 | 1/20 | 0.33 |
| ▸ | DHFR | P00374 | 1/20 | 0.32 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.31 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.31 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.31 |
| ▸ | PIK3CG | P48736 | 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 | |
|---|---|---|---|---|
| SCHEMBL2599667 | 0.95 | AVPR1A (0.35) | AVPR1ADHFRCYP17A1CYP1A2PDE4B | |
| SCHEMBL2599612 | 0.89 | PIK3CD (0.36) | AVPR1ACYP17A1CYP1A2PDE4BPIK3CD | |
| SCHEMBL2599623 | 0.82 | DHFR (0.40) | DHFRCYP17A1CYP1A2PDE4B | |
| SCHEMBL16332713 | 0.81 | CYP17A1 (0.34) | AVPR1ACYP17A1CYP1A2PDE4BPIK3CD | |
| SCHEMBL2599603 | 0.81 | MAPT (0.40) | DHFRCYP17A1CYP1A2PIK3CDPIK3CB | |
| SCHEMBL16388603 | 0.79 | F10 (0.37) | AVPR1ADHFRCYP17A1CYP1A2PDE4B | |
| SCHEMBL2599613 | 0.78 | DHFR (0.40) | DHFRPDE4B | |
| SCHEMBL2599665 | 0.77 | PIK3CD (0.38) | AVPR1ADHFRCYP17A1CYP1A2PDE4B | |
| SCHEMBL16388793 | 0.77 | PIK3CA (0.37) | AVPR1ACYP17A1CYP1A2PIK3CDPIK3CB | |
| SCHEMBL16332808 | 0.75 | IDH1 (0.33) | — |
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-2571872-A1 | COMPOUNDS | BTG International Limited (GB) | 2013-03-27 | — | — | EP | disclosed |
| WO-2011144578-A1 | COMPOUNDS | SENEXIS LIMITED (GB) | 2011-11-24 | — | — | WO | disclosed |