Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 10/20 | 0.50 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.41 |
| ▸ | CDC42BPA | Q5VT25 | 2/20 | 0.41 |
| ▸ | CDC42BPB | Q9Y5S2 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | SUV39H2 | Q9H5I1 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL22667722 | 0.81 | AR (0.59) | ARROCK2ROCK1CDC42BPACDC42BPB | |
| SCHEMBL13651226 | 0.81 | AR (0.59) | ARROCK2ROCK1CDC42BPACDC42BPB | |
| SCHEMBL6236056 | 0.79 | CHRM4 (0.49) | MAPTCHRM4 | |
| SCHEMBL30664773 | 0.78 | AR (0.49) | ARROCK2ROCK1CDC42BPACDC42BPB | |
| SCHEMBL4904736 | 0.77 | AR (0.65) | AR | |
| SCHEMBL22667487 | 0.77 | AR (0.65) | AR | |
| SCHEMBL13651258 | 0.77 | AR (0.65) | AR | |
| SCHEMBL13651287 | 0.76 | AR (0.52) | ARCHRM4 | |
| SCHEMBL3339683 | 0.76 | AR (0.55) | ARCHRM4SUV39H2 | |
| SCHEMBL21164657 | 0.76 | ALDH1A1 (0.62) | ARMAPTCHRM4 |
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-2009131196-A1 | SUBSTITUTED PYRROLIDINE DERIVATIVE AND USE THEREOF | 武田薬品工業株式会社 (JP) | 2009-10-29 | — | — | WO | disclosed |