Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 18/20 | 1.00 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.47 |
| ▸ | HTR1B | P28222 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | GPR65 | Q8IYL9 | 1/20 | 0.37 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5748568 | 0.88 | HSP90AA1 (0.79) | HSP90AA1HSP90AB1HTR1BHTR2BGPR65 | |
| SCHEMBL5747376 | 0.78 | HSP90AA1 (0.64) | HSP90AA1HSP90AB1HTR1BHTR2BGPR65 | |
| SCHEMBL5748563 | 0.76 | HSP90AA1 (0.61) | HSP90AA1HSP90AB1HTR1BHTR2BGPR65 | |
| SCHEMBL5748130 | 0.76 | HSP90AA1 (0.61) | HSP90AA1HSP90AB1HTR1BHTR2BGPR65 | |
| SCHEMBL5746670 | 0.73 | HSP90AA1 (0.60) | HSP90AA1HSP90AB1HTR1BHTR2BGPR65 | |
| SCHEMBL5749014 | 0.73 | HSP90AA1 (0.58) | HSP90AA1HSP90AB1HTR1BHTR2BGPR65 | |
| SCHEMBL8329880 | 0.72 | HSP90AA1 (0.59) | HSP90AA1HSP90AB1HTR1BHTR2BGPR65 | |
| Hydrochloric Acid SCHEMBL5751781 | 0.72 | HSP90AA1 (0.59) | HSP90AA1HSP90AB1HTR1BHTR2BGPR65 | |
| SCHEMBL7077167 | 0.72 | HSP90AA1 (0.56) | HSP90AA1HSP90AB1HTR1BHTR2BGPR65 | |
| SCHEMBL5748362 | 0.72 | HTR1B (0.61) | 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 2 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 | disclosed |
| EP-1321169-A1 | Combination of a serotonin receptor antagonist with a histidine decarboxylase inhibitor as a medicament | Biofrontera Pharmaceuticals AG (DE) | 2003-06-25 | — | — | EP | disclosed |