Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | RARB | P10826 | 1/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.33 |
| ▸ | SPHK1 | Q9NYA1 | 3/20 | 0.33 |
| ▸ | CHKA | P35790 | 1/20 | 0.32 |
| ▸ | FASN | P49327 | 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 | |
|---|---|---|---|---|
| SCHEMBL10945841 | 0.93 | CYP2C9 (0.44) | CYP2C9CYP3A4ALDH1A1LMNAMAPT | |
| SCHEMBL10945851 | 0.93 | CYP2C9 (0.44) | CYP2C9CYP3A4ALDH1A1LMNAMAPT | |
| SCHEMBL9853709 | 0.92 | CYP2C9 (0.43) | CYP2C9CYP3A4ALDH1A1LMNAMAPT | |
| SCHEMBL9853707 | 0.92 | CYP2C9 (0.43) | CYP2C9CYP3A4ALDH1A1LMNAMAPT | |
| SCHEMBL17759277 | 0.86 | SPHK1 (0.46) | CYP2C9CYP3A4ALDH1A1LMNAMAPT | |
| SCHEMBL16104456 | 0.86 | CYP2C9 (0.42) | CYP2C9CYP3A4ALDH1A1LMNAMAPT | |
| SCHEMBL16104420 | 0.86 | CYP2C9 (0.42) | CYP2C9CYP3A4ALDH1A1LMNAMAPT | |
| SCHEMBL8049166 | 0.86 | CYP2C9 (0.41) | CYP2C9CYP3A4ALDH1A1LMNAMAPT | |
| SCHEMBL10612469 | 0.86 | CYP2C9 (0.41) | CYP2C9CYP3A4ALDH1A1LMNAMAPT | |
| SCHEMBL10943958 | 0.85 | SPHK1 (0.42) | CYP2C9CYP3A4APPCYP2D6CYP2C19 |
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-0444448-A2 | Phenylcyclohexylethane and liquid crystal medium | MERCK PATENT GmbH (DE) | 1991-09-04 | — | — | EP | disclosed |