Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STAT3 | P40763 | 2/20 | 0.32 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.31 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.30 |
| ▸ | TSHR | P16473 | 2/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4755858 | 1.00 | STAT3 (0.32) | STAT3CTDSP1SIRT5ALDH1A1CYP3A4 | |
| SCHEMBL4974280 | 1.00 | STAT3 (0.32) | STAT3CTDSP1SIRT5ALDH1A1CYP3A4 | |
| SCHEMBL2332158 | 0.89 | SPHK1 (0.35) | — | |
| SCHEMBL2332146 | 0.89 | SPHK1 (0.35) | — | |
| SCHEMBL3963191 | 0.89 | SPHK1 (0.35) | — | |
| SCHEMBL2332152 | 0.89 | SPHK1 (0.35) | — | |
| SCHEMBL2332163 | 0.89 | SPHK1 (0.35) | — | |
| SCHEMBL4755203 | 0.87 | PLA2G2C (0.34) | — | |
| SCHEMBL3604810 | 0.86 | ALDH1A1 (0.36) | ALDH1A1TSHRMAPT | |
| SCHEMBL3604811 | 0.86 | ALDH1A1 (0.36) | ALDH1A1TSHRMAPT |
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-1966139-A1 | ASPARTIC PROTEASE INHIBITORS | Vitae Pharmaceuticals, Inc. (US) | 2008-09-10 | — | — | EP | disclosed |
| WO-2007070201-A1 | ASPARTIC PROTEASE INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2007-06-21 | — | — | WO | disclosed |