Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | STAT6 | P42226 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | FBP1 | P09467 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4097995 | 0.89 | HSP90AB1 (0.40) | CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL13928104 | 0.79 | HSP90AA1 (0.38) | HSP90AA1SMN1; SMN2L3MBTL1TP53MAPT | |
| SCHEMBL14642070 | 0.79 | MAPT (0.38) | HSP90AA1SMN1; SMN2L3MBTL1TP53MAPT | |
| SCHEMBL14642069 | 0.76 | HSP90AA1 (0.46) | CYP1A2CYP2C19CYP3A4CYP2C9HSP90AA1 | |
| SCHEMBL4086685 | 0.71 | HSP90AB1 (0.41) | HSP90AA1ADORA3POLB | |
| SCHEMBL13927749 | 0.70 | HSP90AA1 (0.34) | HSP90AA1 | |
| SCHEMBL4086591 | 0.69 | HSP90AB1 (0.45) | CYP2C19HSP90AA1L3MBTL1POLB | |
| SCHEMBL4092776 | 0.69 | HSP90AB1 (0.36) | HSP90AA1SMN1; SMN2L3MBTL1TP53MAPT | |
| SCHEMBL14642295 | 0.69 | TAS1R3 (0.37) | CYP2C19HSP90AA1MAPK1 | |
| SCHEMBL4092055 | 0.68 | HSP90AA1 (0.46) | HSP90AA1SMN1; SMN2L3MBTL1ADORA3ALOX15 |
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-2036895-B1 | HSP90 INHIBITOR | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2013-01-16 | — | — | EP | disclosed |