Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8487536 | 0.83 | HTT (0.47) | CYP2C9CYP2C19HSD17B10HTT | |
| SCHEMBL8484086 | 0.81 | HPGD (0.50) | CYP2C9CYP2C19HSD17B10HTT | |
| SCHEMBL8488661 | 0.80 | IDO1 (0.39) | CYP2C9CYP2C19HSD17B10 | |
| SCHEMBL8779819 | 0.77 | CA1 (0.52) | HSD17B10HTT | |
| SCHEMBL8487721 | 0.77 | PLK1 (0.47) | CYP2C9HSD17B10HTT | |
| SCHEMBL8488711 | 0.77 | — | — | |
| SCHEMBL8485183 | 0.74 | NR1H2 (0.41) | CYP2C9CYP2C19HSD17B10 | |
| SCHEMBL9018820 | 0.72 | HTT (0.55) | CYP2C9CYP2C19HSD17B10HTT | |
| SCHEMBL8488666 | 0.71 | HPGD (0.38) | — | |
| SCHEMBL9018827 | 0.71 | HPGD (0.59) | CYP2C9CYP2C19HSD17B10HTT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5932731-A | HYDROLYZING A HETEROAROMATIC HALOGENATED METHYL SULFIDE IN PRESENCE OF AN ACID | SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) | 1999-08-03 | — | — | US | disclosed |