Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1348022 | 0.65 | CYP2D6 (0.39) | CYP2D6CYP2C19HIF1A | |
| SCHEMBL8725908 | 0.61 | CYP2D6 (0.45) | CYP2D6CYP2C19HIF1A | |
| SCHEMBL2223767 | 0.61 | — | — | |
| SCHEMBL8670281 | 0.61 | — | — | |
| SCHEMBL6701234 | 0.61 | CYP2D6 (0.45) | CYP2D6CYP2C19HIF1A | |
| SCHEMBL300329 | 0.60 | CYP2D6 (0.33) | CYP2D6CYP2C19HIF1A | |
| Thioglycolic Acid SCHEMBL9343849 | 0.59 | ANPEP (0.31) | — | |
| Thioglycolic Acid SCHEMBL6679887 | 0.57 | ENPEP (0.33) | HIF1A | |
| Thioglycolic Acid SCHEMBL10489543 | 0.57 | ENPEP (0.33) | HIF1A | |
| Thioglycolic Acid SCHEMBL538389 | 0.57 | ENPEP (0.33) | HIF1A |
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-5693738-A | REACTING AN ISOCYANATE AND/OR AN ISOTHIOCYANATE COMPOUND WITH A HYDROXYL AND/OR MERCAPTO-CONTAINING COMPOUND IN THE PRESENCE OF A COMPLEX OF A TERTIARY AMINE AND A LEWIS ACID | MITSUI TOATSU CHEMICALS, INC. (JP) | 1997-12-02 | — | — | US | disclosed |
| EP-0676429-A2 | Composition for urethane-base plastic lens | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1995-10-11 | — | — | EP | disclosed |