Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | ALOX5AP | P20292 | 6/20 | 0.35 |
| ▸ | FEN1 | P39748 | 6/20 | 0.35 |
| ▸ | PIM1 | P11309 | 3/20 | 0.35 |
| ▸ | PIM3 | Q86V86 | 3/20 | 0.35 |
| ▸ | PIM2 | Q9P1W9 | 3/20 | 0.35 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.31 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.31 |
| ▸ | CDK9 | P50750 | 1/20 | 0.31 |
| ▸ | FFAR4 | Q5NUL3 | 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 | |
|---|---|---|---|---|
| SCHEMBL16769002 | 0.87 | CYP3A4 (0.42) | CYP3A4CYP2C9ALOX5APFEN1APP | |
| SCHEMBL16768999 | 0.84 | CYP3A4 (0.45) | CYP3A4CYP2C9ALOX5APFEN1APP | |
| SCHEMBL18251036 | 0.83 | SPHK1 (0.39) | CYP3A4CYP2C9APPKDM1AS1PR1 | |
| SCHEMBL24778682 | 0.83 | CYP3A4 (0.47) | CYP3A4CYP2C9APPS1PR1S1PR5 | |
| SCHEMBL26167206 | 0.81 | CYP3A4 (0.38) | CYP3A4CYP2C9APPS1PR1S1PR5 | |
| SCHEMBL16769049 | 0.79 | CYP3A4 (0.36) | CYP3A4CYP2C9ALOX5APFEN1APP | |
| SCHEMBL26672922 | 0.77 | CYP3A4 (0.36) | CYP3A4CYP2C9APPS1PR1S1PR5 | |
| SCHEMBL16768998 | 0.76 | CYP3A4 (0.39) | CYP3A4CYP2C9APPS1PR1S1PR5 | |
| SCHEMBL802765 | 0.76 | ESR2 (0.46) | CYP3A4CYP2C9APPS1PR1S1PR5 | |
| SCHEMBL28705515 | 0.75 | KDM1A (0.40) | CYP3A4CYP2C9KDM1A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016020033-A1 | LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME | MERCK PATENT GMBH (DE) | 2016-02-11 | — | — | WO | disclosed |