Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 4/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.35 |
| ▸ | RAF1 | P04049 | 1/20 | 0.35 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20937179 | 0.96 | ABCG2 (0.38) | CYP1A2CYP3A4CYP2C9USP2HPGD | |
| SCHEMBL21032500 | 0.95 | MAPK13 (0.40) | CYP1A2CYP3A4CYP2C9USP2HPGD | |
| SCHEMBL21032503 | 0.92 | ABCG2 (0.36) | CYP1A2CYP3A4CYP2C9USP2HPGD | |
| SCHEMBL23347964 | 0.92 | CYP1A2 (0.37) | CYP1A2CYP3A4CYP2C9USP2HPGD | |
| SCHEMBL23348026 | 0.91 | CYP1A2 (0.36) | CYP1A2CYP3A4CYP2C9USP2HPGD | |
| SCHEMBL22242935 | 0.90 | CYP1A2 (0.41) | CYP1A2CYP3A4CYP2C9USP2HPGD | |
| SCHEMBL21032846 | 0.90 | CYP11B2 (0.45) | CYP1A2CYP3A4CYP2C9USP2ABCG2 | |
| SCHEMBL21364361 | 0.90 | ABCG2 (0.38) | CYP1A2CYP3A4CYP2C9ABCG2MEN1 | |
| SCHEMBL23347903 | 0.89 | CYP1A2 (0.37) | CYP1A2CYP3A4CYP2C9USP2HPGD | |
| SCHEMBL21032502 | 0.89 | ABCG2 (0.37) | CYP1A2CYP3A4CYP2C9USP2HPGD |
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-2019101746-A1 | ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES | CYNORA GMBH (DE) | 2019-05-31 | — | — | WO | disclosed |