Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | IMPDH2 | P12268 | 2/20 | 0.33 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.32 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | BRAF | P15056 | 1/20 | 0.32 |
| ▸ | IMPDH1 | P20839 | 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 | |
|---|---|---|---|---|
| SCHEMBL4719487 | 0.86 | — | — | |
| SCHEMBL4721053 | 0.84 | — | — | |
| SCHEMBL4720197 | 0.83 | — | — | |
| SCHEMBL4720042 | 0.82 | IMPDH2 (0.39) | ALDH1A1IMPDH2PTK2BRAF | |
| SCHEMBL4719183 | 0.82 | — | — | |
| SCHEMBL4719178 | 0.82 | — | — | |
| SCHEMBL4723570 | 0.82 | F10 (0.36) | ALDH1A1 | |
| SCHEMBL4722289 | 0.81 | IMPDH2 (0.36) | ALDH1A1IMPDH2PTK2LRRK2BRAF | |
| SCHEMBL4722804 | 0.79 | — | — | |
| SCHEMBL4723349 | 0.77 | PTK2 (0.30) | PTK2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1953147-A1 | HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF | Japan Tobacco, Inc. (JP) | 2008-08-06 | — | — | EP | disclosed |