Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | CDK4 | P11802 | 4/20 | 0.46 |
| ▸ | CCND1 | P24385 | 4/20 | 0.46 |
| ▸ | CCNB2 | O95067 | 3/20 | 0.46 |
| ▸ | CDK1 | P06493 | 3/20 | 0.46 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.46 |
| ▸ | CCNB3 | Q8WWL7 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | XDH | P47989 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.32 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9454057 | 0.79 | MAOB (0.36) | ALDH1A1TRPA1LMNAALOX5MAPK1 | |
| SCHEMBL9454061 | 0.79 | MAOB (0.36) | ALDH1A1TRPA1LMNAALOX5MAPK1 | |
| SCHEMBL972702 | 0.78 | — | — | |
| SCHEMBL28216952 | 0.78 | ALDH1A1 (0.44) | ALDH1A1TRPA1LMNAALOX5MAPK1 | |
| SCHEMBL922284 | 0.76 | MAOB (0.46) | ALDH1A1TRPA1LMNAALOX5MAPK1 | |
| SCHEMBL2025147 | 0.76 | MAOB (0.46) | ALDH1A1TRPA1LMNAALOX5MAPK1 | |
| SCHEMBL2025150 | 0.76 | MAOB (0.46) | ALDH1A1TRPA1LMNAALOX5MAPK1 | |
| SCHEMBL29240276 | 0.76 | — | — | |
| Cinnamaldehyde SCHEMBL28538253 | 0.75 | ALDH1A1 (0.95) | ALDH1A1TRPA1LMNAALOX5MAPK1 | |
| SCHEMBL6846425 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6683092-B1 | BREAST AND/OR PROSTATE CANCER | ALLERGAN, INC. | 2004-01-27 | — | — | US | disclosed |