Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6814504 | 0.82 | ALDH1A1 (0.46) | ALDH1A1CYP2D6CA12CA1CA2 | |
| Dixanthogen SCHEMBL37053 | 0.77 | ALDH1A1 (0.50) | ALDH1A1CYP2D6CA12CA1CA2 | |
| Dixanthogen SCHEMBL1415905 | 0.74 | ALDH1A1 (0.48) | ALDH1A1CYP2D6CA12CA1CA2 | |
| Dixanthogen SCHEMBL11408546 | 0.74 | ALDH1A1 (0.48) | ALDH1A1CYP2D6CA12CA1CA2 | |
| SCHEMBL47721 | 0.73 | ALDH1A1 (0.43) | ALDH1A1CYP2D6CA12CA1CA2 | |
| Dixanthogen SCHEMBL7105038 | 0.72 | ALDH1A1 (0.46) | ALDH1A1CYP2D6CA12CA1CA2 | |
| SCHEMBL11830672 | 0.69 | ALDH1A1 (0.43) | ALDH1A1CYP2D6CA12CA1CA2 | |
| SCHEMBL11822867 | 0.69 | ALDH1A1 (0.43) | ALDH1A1CYP2D6CA12CA1CA2 | |
| SCHEMBL11823880 | 0.68 | ALDH1A1 (0.33) | ALDH1A1CYP2D6 | |
| SCHEMBL11685818 | 0.68 | ALDH1A1 (0.36) | ALDH1A1CYP2D6CA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4013571-A | Extreme pressure lubricating composition containing thiosulfinate extreme pressure agents | PHILLIPS PETROLEUM COMPANY (US) | 1977-03-22 | — | — | US | disclosed |
| US-4013571-A | Extreme pressure lubricating composition containing thiosulfinate extreme pressure agents | PHILLIPS PETROLEUM COMPANY (US) | 1977-03-22 | — | — | US | disclosed |