Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AB1 | P08238 | 6/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4134884 | 0.84 | HSP90AB1 (0.50) | HSP90AB1HSP90AA1ABCB1PIM1L3MBTL1 | |
| SCHEMBL3956211 | 0.77 | HSP90AB1 (0.47) | HSP90AB1HSP90AA1ABCB1PIM1L3MBTL1 | |
| SCHEMBL2567338 | 0.75 | HSP90AB1 (0.47) | HSP90AB1HSP90AA1ABCB1PIM1L3MBTL1 | |
| SCHEMBL3961239 | 0.75 | HSP90AA1 (0.56) | HSP90AB1HSP90AA1SMN1; SMN2GAAKCNH2 | |
| SCHEMBL3961248 | 0.73 | HSP90AB1 (0.56) | HSP90AB1HSP90AA1RXFP1KCNH2 | |
| SCHEMBL3955015 | 0.71 | HSP90AB1 (0.53) | HSP90AB1HSP90AA1KDM4EALDH1A1GAA | |
| SCHEMBL2564620 | 0.69 | HSP90AB1 (0.55) | HSP90AB1HSP90AA1PIM1KCNH2 | |
| SCHEMBL3955735 | 0.69 | HSP90AA1 (0.62) | HSP90AB1HSP90AA1SMN1; SMN2KCNH2 | |
| SCHEMBL2569133 | 0.68 | HSP90AB1 (0.46) | HSP90AB1HSP90AA1KCNH2 | |
| SCHEMBL3961424 | 0.67 | HSP90AB1 (0.42) | HSP90AB1HSP90AA1ALDH1A1HPGDGAA |
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-2007767-B1 | PYRROLOPYRIMIDINE DERIVATIVES USED AS HSP90 INHIBITORS | VERNALIS R&D LTD (GB) | 2011-11-02 | — | — | EP | disclosed |