Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FYN | P06241 | 1/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.38 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.38 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.37 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.37 |
| ▸ | SRD5A1 | P18405 | 2/20 | 0.36 |
| ▸ | AR | P10275 | 4/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 3/20 | 0.35 |
| ▸ | MAOB | P27338 | 3/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12247402 | 0.85 | STS (0.35) | SRD5A1ARCYP3A4RORCKDM4E | |
| SCHEMBL7962154 | 0.85 | CYP19A1 (0.38) | ARCYP3A4RORCPGR | |
| SCHEMBL7962622 | 0.80 | AR (0.54) | SRD5A1ARCYP3A4MAOBKDM4E | |
| SCHEMBL7960852 | 0.80 | PFKFB3 (0.38) | FYNCLK4DYRK1BPARP10PARP11 | |
| SCHEMBL7949246 | 0.79 | CYP19A1 (0.37) | RORCPGRALDH1A1STS | |
| SCHEMBL12247283 | 0.79 | STS (0.36) | ARCYP3A4RORCKDM4EALDH1A1 | |
| SCHEMBL16136615 | 0.74 | RORC (0.41) | FYNCLK4DYRK1BPARP10PARP11 | |
| SCHEMBL7949251 | 0.74 | AR (0.52) | ARCYP3A4RORCMAOBKDM4E | |
| SCHEMBL12247405 | 0.73 | BACE1 (0.31) | SRD5A1 | |
| SCHEMBL12247407 | 0.71 | AR (0.33) | ARCYP3A4RORCKDM4EALDH1A1 |
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-2010021680-A2 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS, INC. (US) | 2010-02-25 | — | — | WO | disclosed |