Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 3/20 | 0.33 |
| ▸ | MLYCD | O95822 | 1/20 | 0.33 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.32 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.31 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.31 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4129963 | 0.88 | CHRNB2 (0.40) | — | |
| SCHEMBL9854842 | 0.88 | TRPM8 (0.41) | CYP17A1CYP3A4CYP2C9CYP2C19PARP15 | |
| SCHEMBL14942315 | 0.88 | APP (0.35) | CYP17A1CYP3A4CYP2C9CYP2C19PARP15 | |
| SCHEMBL442378 | 0.86 | ALDH1A1 (0.35) | CYP17A1CYP3A4CYP2C9CYP2C19PARP15 | |
| SCHEMBL456036 | 0.86 | CYP2C9 (0.38) | CYP17A1CYP3A4CYP2C9CYP2C19RORC | |
| SCHEMBL15368074 | 0.85 | RORC (0.37) | ALOX5CYP17A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4131407 | 0.84 | CYP17A1 (0.33) | CYP17A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4124970 | 0.82 | CYP17A1 (0.32) | CYP17A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4125025 | 0.82 | CHRNA3 (0.34) | — | |
| SCHEMBL12066132 | 0.76 | APP (0.33) | CYP17A1CYP3A4CYP2C9CYP2C19PARP15 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0409418-A1 | Heterocyclic tertiary alcohols | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-01-23 | — | — | EP | disclosed |