Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 9/20 | 0.61 |
| ▸ | HSP90AB1 | P08238 | 5/20 | 0.51 |
| ▸ | HTR1B | P28222 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | GPR65 | Q8IYL9 | 1/20 | 0.40 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.38 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.38 |
| ▸ | CDK1 | P06493 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | NCF1 | P14598 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL5747376 | 0.82 | HSP90AA1 (0.64) | HSP90AA1HSP90AB1HTR1BHTR2BGPR65 | |
| SCHEMBL5748356 | 0.82 | HTR1B (0.62) | HSP90AA1HSP90AB1HTR1BHTR2BGPR65 | |
| SCHEMBL5748130 | 0.80 | HSP90AA1 (0.61) | HSP90AA1HSP90AB1HTR1BHTR2BGPR65 | |
| SCHEMBL5748568 | 0.79 | HSP90AA1 (0.79) | HSP90AA1HSP90AB1HTR1BHTR2BGPR65 | |
| SCHEMBL5746670 | 0.77 | HSP90AA1 (0.60) | HSP90AA1HSP90AB1HTR1BHTR2BGPR65 | |
| SCHEMBL5749014 | 0.77 | HSP90AA1 (0.58) | HSP90AA1HSP90AB1HTR1BHTR2BGPR65 | |
| Hydrochloric Acid SCHEMBL5751781 | 0.76 | HSP90AA1 (0.59) | HSP90AA1HSP90AB1HTR1BHTR2BGPR65 | |
| SCHEMBL8329880 | 0.76 | HSP90AA1 (0.59) | HSP90AA1HSP90AB1HTR1BHTR2BGPR65 | |
| SCHEMBL5748133 | 0.76 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1HTR1BHTR2BGPR65 | |
| Hydrochloric Acid SCHEMBL5748154 | 0.74 | HTR1B (0.66) | HSP90AA1HSP90AB1HTR1BHTR2BGPR65 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0901474-B1 | ARYL PYRIMIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2006-04-19 | — | — | EP | claimed |
| EP-0901474-B1 | ARYL PYRIMIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2006-04-19 | — | — | EP | disclosed |
| EP-0901474-A1 | ARYL PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1999-03-17 | — | — | EP | disclosed |
| WO-1997044326-A1 | ARYL PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1997-11-27 | — | — | WO | disclosed |