Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 5/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 6/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.36 |
| ▸ | PTGIR | P43119 | 1/20 | 0.36 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.34 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.34 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL857298 | 0.90 | ACHE (0.35) | ACHEPTGDR2RORCMAPK1CACNA1G | |
| SCHEMBL856242 | 0.89 | ACHE (0.35) | ACHEALDH1A1RORCMAPK1 | |
| SCHEMBL856425 | 0.86 | ACHE (0.36) | ACHEALDH1A1RORCMAPK1CACNA1G | |
| SCHEMBL856116 | 0.85 | PTGDR2 (0.40) | ACHEPTGDR2RORC | |
| SCHEMBL857343 | 0.84 | PTGDR2 (0.41) | ACHEPTGDR2 | |
| SCHEMBL858958 | 0.73 | PDK1 (0.33) | ACHEMAPK1 | |
| SCHEMBL857154 | 0.71 | PDK1 (0.35) | MAPK1 | |
| SCHEMBL3723441 | 0.70 | ACHE (0.35) | ACHEALDH1A1 | |
| SCHEMBL856626 | 0.70 | AADAT (0.43) | — | |
| SCHEMBL13687190 | 0.70 | LMNA (0.62) | PTGDR2ALDH1A1MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2432779-A1 | BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES | Exelixis, Inc. (US) | 2012-03-28 | — | — | EP | disclosed |