Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL5887068 | 0.72 | CYP2A6 (0.38) | ALDH1A1CYP2A6CA2CA9 | |
| SCHEMBL4808002 | 0.70 | ALOX5 (0.38) | ALDH1A1 | |
| SCHEMBL18305243 | 0.63 | — | — | |
| SCHEMBL68094 | 0.59 | ALDH1A1 (0.73) | ALDH1A1MAPK1CYP2A6CA12CA2 | |
| SCHEMBL1673427 | 0.59 | ALDH1A1 (0.73) | ALDH1A1MAPK1CYP2A6CA12CA2 | |
| SCHEMBL12302096 | 0.59 | ALDH1A1 (0.73) | ALDH1A1MAPK1CYP2A6CA12CA2 | |
| SCHEMBL3869855 | 0.59 | ALDH1A1 (0.55) | ALDH1A1MAPK1CYP2A6CA12CA2 | |
| SCHEMBL9913551 | 0.57 | HTR2C (0.52) | ALDH1A1MAPK1CYP2A6CA12CA2 | |
| SCHEMBL21518323 | 0.57 | ALDH1A1 (0.69) | ALDH1A1MAPK1CYP2A6CA12CA2 | |
| Bromide SCHEMBL29066324 | 0.57 | ALDH1A1 (0.69) | ALDH1A1MAPK1CYP2A6CA12CA2 |
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-2593426-A1 | 1-HYDROXYIMINO-3-PHENYL-PROPANES | F.HOFFMANN-LA ROCHE AG (CH) | 2013-05-22 | — | — | EP | disclosed |
| WO-2012007365-A1 | 1-HYDROXYIMINO-3-PHENYL-PROPANES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-01-19 | — | — | WO | disclosed |