Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 4/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | KRAS | P01116 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CTSK | P43235 | 1/20 | 0.31 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.30 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | 0.87 | CTSS (0.34) | CTSSCYP2C9CYP2C19CYP2D6TSHR | |
| SCHEMBL1261620 | 0.86 | CTSS (0.33) | CTSSCYP2C9CYP2C19CYP2D6TSHR | |
| SCHEMBL1261144 | 0.85 | CTSS (0.33) | CTSSCYP2C9CYP2C19CYP2D6TSHR | |
| SCHEMBL1262387 | 0.85 | CTSS (0.33) | CTSSCYP2C9CYP2C19CYP2D6TSHR | |
| SCHEMBL4358219 | 0.75 | HIF1A (0.36) | CYP2C9CYP2D6MAPT | |
| SCHEMBL3755099 | 0.72 | CTSS (0.36) | CTSSCYP2C9CYP2C19KRASKDM4E | |
| SCHEMBL3755089 | 0.72 | CTSS (0.36) | CTSSCYP2C9CYP2C19KRASKDM4E | |
| SCHEMBL3755093 | 0.72 | CTSS (0.36) | CTSSCYP2C9CYP2C19KRASKDM4E | |
| SCHEMBL3531389 | 0.70 | CTSS (0.33) | CTSS | |
| SCHEMBL3535623 | 0.70 | CTSS (0.36) | CTSSCYP2C9CYP2C19CYP2D6TSHR |
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 |