Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.35 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.33 |
| ▸ | PRKDC | P78527 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11567079 | 0.88 | ALDH1A1 (0.41) | ALDH1A1ALDH1A3ALDH3A1PRKDCMAPK1 | |
| SCHEMBL11094602 | 0.86 | ALDH1A1 (0.43) | ALDH1A1 | |
| SCHEMBL5760222 | 0.74 | ALDH1A3 (0.47) | ALDH1A1ALDH1A3ALDH3A1PRKDC | |
| SCHEMBL11255143 | 0.68 | ALDH1A1 (0.39) | ALDH1A1PRKDCMAPK1LMNA | |
| SCHEMBL7811222 | 0.68 | ALDH1A3 (0.42) | ALDH1A1ALDH1A3ALDH3A1PRKDCMAPK1 | |
| SCHEMBL3406735 | 0.67 | ALDH1A1 (0.52) | ALDH1A1 | |
| SCHEMBL4031389 | 0.67 | ALDH1A1 (0.41) | ALDH1A1 | |
| SCHEMBL7814448 | 0.67 | APEX1 (0.45) | ALDH1A1ALDH1A3ALDH3A1PRKDCMAPK1 | |
| SCHEMBL7317068 | 0.64 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL2622620 | 0.64 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0035624-B1 | ALDEHYDES | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1984-07-04 | — | — | EP | disclosed |
| EP-0035624-A2 | Aldehydes | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1981-09-16 | — | — | EP | disclosed |
| EP-0003212-A1 | 2.4-Diamino-5-benzylpyrimidines, pharmaceutical compositions containing them and their preparation | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1979-08-08 | — | — | EP | disclosed |