Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 3/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | PPARA | Q07869 | 1/20 | 0.32 |
| ▸ | THRA | P10827 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2333772 | 1.00 | CYP1A2 (0.34) | CYP1A2CYP2C19THRBPPARGPPARA | |
| SCHEMBL2326062 | 0.81 | AOC3 (0.39) | CYP1A2CYP2C19 | |
| SCHEMBL2326069 | 0.81 | AOC3 (0.39) | CYP1A2CYP2C19 | |
| SCHEMBL28948579 | 0.75 | CYP2C19 (0.54) | CYP2C19THRBPPARGPPARA | |
| SCHEMBL2325318 | 0.74 | CYP1A2 (0.43) | CYP1A2CYP2C19 | |
| SCHEMBL28711583 | 0.70 | THRB (0.35) | THRBTHRA | |
| SCHEMBL25863982 | 0.69 | CYP2C19 (0.35) | CYP2C19THRBPPARGPPARA | |
| SCHEMBL2332350 | 0.69 | MEN1 (0.43) | CYP2C19THRB | |
| SCHEMBL2332343 | 0.69 | MEN1 (0.43) | CYP2C19THRB | |
| SCHEMBL2333803 | 0.69 | MEN1 (0.43) | CYP2C19THRB |
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-2011099947-A1 | A NEW CLASS OF HIGHLY APOPTOTIC ANTI-CANCER AGENTS | CAGIR ALI (TR) | 2011-08-18 | — | — | WO | disclosed |