Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BUB1 | O43683 | 18/20 | 0.54 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL14843837 | 0.83 | BUB1 (0.67) | BUB1 | |
| SCHEMBL14843520 | 0.80 | BUB1 (0.68) | BUB1 | |
| SCHEMBL6214026 | 0.79 | BUB1 (0.53) | BUB1 | |
| SCHEMBL18212218 | 0.78 | ADORA3 (0.58) | — | |
| Etriciguat SCHEMBL29388720 | 0.77 | ADORA3 (0.56) | BUB1 | |
| Etriciguat SCHEMBL419874 | 0.77 | ADORA3 (0.56) | BUB1 | |
| SCHEMBL4245462 | 0.76 | BUB1 (0.48) | BUB1 | |
| SCHEMBL174189 | 0.76 | ADORA3 (0.61) | — | |
| SCHEMBL16101234 | 0.75 | BUB1 (0.60) | BUB1 | |
| SCHEMBL16096773 | 0.75 | BUB1 (0.55) | BUB1 |
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-1119566-A1 | NOVEL HETEROCYCLYL-METHYL-SUBSTITUTED PYRAZOLES | Bayer Aktiengesellschaft (DE) | 2001-08-01 | — | — | EP | disclosed |
| WO-2000021954-A1 | NOVEL HETEROCYCLYL-METHYL-SUBSTITUTED PYRAZOLES | BAYER AKTIENGESELLSCHAFT (DE) | 2000-04-20 | — | — | WO | disclosed |