Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL42870 | 0.89 | — | — | |
| Alcohol SCHEMBL9788471 | 0.80 | ALDH1A1 (0.40) | MAPK1ALDH1A1 | |
| Ether SCHEMBL3135819 | 0.80 | MAPK1 (0.33) | MAPK1ALDH1A1 | |
| SCHEMBL7155207 | 0.80 | ALDH1A1 (0.53) | MAPK1ALDH1A1 | |
| Ethylene Glycol SCHEMBL5414516 | 0.78 | MAPK1 (0.38) | MAPK1ALDH1A1 | |
| Hexane SCHEMBL28663678 | 0.78 | TSHR (0.41) | MAPK1ALDH1A1 | |
| Acetic Acid SCHEMBL9771962 | 0.75 | FFAR3 (0.41) | MAPK1ALDH1A1 | |
| Acetaldehyde SCHEMBL3131155 | 0.75 | TDP1 (0.36) | MAPK1ALDH1A1 | |
| Acetone SCHEMBL3131149 | 0.75 | ALDH1A1 (0.41) | MAPK1ALDH1A1 | |
| SCHEMBL11271953 | 0.75 | MAPK1 (0.36) | MAPK1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998023618-A1 | 2,3,4,7-TETRAHYDROPYRIDOINDAZOLE[1,4] BENZODIAZEPINE DERIVATIVES HAVING ANTITUMOR ACTIVITY | F.HOFFMANN-LA ROCHE AG (CH) | 1998-06-04 | — | — | WO | disclosed |