Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | PPARD | Q03181 | 1/20 | 0.30 |
| ▸ | PPARA | Q07869 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1262057 | 0.89 | CTSS (0.34) | CTSSCYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL1261620 | 0.88 | CTSS (0.33) | CTSSCYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL1261144 | 0.87 | CTSS (0.33) | CTSSCYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL1262033 | 0.85 | CTSS (0.40) | CTSSCYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL4358219 | 0.75 | HIF1A (0.36) | CYP2D6CYP2C9 | |
| SCHEMBL3749861 | 0.73 | GAA (0.35) | — | |
| SCHEMBL3749866 | 0.73 | GAA (0.35) | — | |
| SCHEMBL3749863 | 0.73 | GAA (0.35) | — | |
| SCHEMBL5936475 | 0.69 | MEP1B (0.32) | CTSS | |
| SCHEMBL20516073 | 0.69 | TDP1 (0.46) | TSHR |
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-7880042-B2 | antiinflammatory agents; (5 alpha ,6 alpha ,8 beta )-2-fluoro-8-methyl-5-[(2-methylquinoline-5-yl)amino]-6-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalene-1,6-diol; side effect reduction | BAYER SCHERING PHARMA AG (DE) | 2011-02-01 | — | — | US | disclosed |