Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 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 | |
|---|---|---|---|---|
| SCHEMBL10435198 | 0.78 | ALDH1A1 (0.35) | ALDH1A1HPGDHIF1A | |
| SCHEMBL10454649 | 0.78 | ALDH1A1 (0.36) | ALDH1A1 | |
| SCHEMBL27546100 | 0.78 | — | — | |
| SCHEMBL844187 | 0.76 | — | — | |
| SCHEMBL1980632 | 0.75 | — | — | |
| Bromide SCHEMBL28062689 | 0.75 | — | — | |
| Nitric Acid SCHEMBL7573949 | 0.73 | CA5A (0.57) | ALDH1A1HPGDHIF1ACA5ACA5B | |
| SCHEMBL1446238 | 0.73 | — | — | |
| SCHEMBL8201549 | 0.73 | MEN1 (0.40) | ALDH1A1HPGDHIF1ACA5ACA5B | |
| SCHEMBL1446233 | 0.73 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7238820-B2 | Fluorine-free metallic complexes for gas-phase chemical metal deposition | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2007-07-03 | — | — | US | disclosed |
| US-4829090-A | SECONDARY AMINES, ANTITUMOR | BURROUGHS WELLCOME CO. (US) | 1989-05-09 | — | — | US | disclosed |
| US-4810727-A | ANTITUMOR | BURROUGHS WELLCOME CO. (US) | 1989-03-07 | — | — | US | disclosed |
| US-4719048-A | ANTITUMOR | BURROUGHS WELLCOME CO. (US) | 1988-01-12 | — | — | US | disclosed |
| US-4719046-A | ANTITUMOR | BURROUGHS WELLCOME CO. (US) | 1988-01-12 | — | — | US | disclosed |
| EP-0125702-B1 | POLYCYCLIC AROMATIC COMPOUNDS | THE WELLCOME FOUNDATION LIMITED (GB) | 1987-08-12 | — | — | EP | disclosed |
| EP-0125702-A2 | Polycyclic aromatic compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1984-11-21 | — | — | EP | disclosed |