Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 8/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.52 |
| ▸ | TSHR | P16473 | 4/20 | 0.52 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | SMO | Q99835 | 1/20 | 0.52 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.50 |
| ▸ | MIF | P14174 | 1/20 | 0.49 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | KMO | O15229 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL10939790 | 0.87 | CYP1A2 (0.58) | CYP1A2CYP2C19CYP3A4TSHRCLK4 | |
| SCHEMBL29730373 | 0.83 | ASIC3 (0.65) | CYP1A2CYP2C19TSHRSMOMIF | |
| SCHEMBL17697185 | 0.83 | ASIC3 (0.65) | CYP1A2CYP2C19TSHRSMOMIF | |
| SCHEMBL18731738 | 0.83 | ASIC3 (0.65) | CYP1A2CYP2C19TSHRSMOMIF | |
| SCHEMBL28065324 | 0.83 | GRM5 (0.48) | CYP1A2CYP2C19CYP3A4TSHRCLK4 | |
| SCHEMBL25295702 | 0.82 | CYP1A2 (0.60) | CYP1A2CYP2C19SMOMIFASIC3 | |
| SCHEMBL20137329 | 0.82 | CYP1A2 (0.60) | CYP1A2CYP2C19SMOMIFASIC3 | |
| SCHEMBL21003370 | 0.80 | ASIC3 (0.57) | CYP1A2CYP2C19CYP3A4TSHRCLK4 | |
| SCHEMBL28314105 | 0.80 | KMO (0.61) | CYP1A2CYP2C19SMOMIFASIC3 | |
| SCHEMBL30854734 | 0.79 | KMT2A (0.56) | CYP1A2CYP2C19CYP3A4CYP2D6CYP2A6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111978289-B | Compound and application thereof, and organic electroluminescent device comprising compound | 北京鼎材科技有限公司 | 2024-05-17 | — | — | CN | disclosed |
| CN-111978289-A | Compound, application thereof and organic electroluminescent device comprising compound | 北京鼎材科技有限公司 | 2020-11-24 | — | — | CN | disclosed |