Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.46 |
| ▸ | CD44 | P16070 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 6/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | THRB | P10828 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13655098 | 0.83 | POLB (0.48) | CYP3A4CD44POLBALDH1A1TDP1 | |
| SCHEMBL3884369 | 0.83 | CYP3A4 (0.50) | CYP3A4CD44POLBALDH1A1TDP1 | |
| SCHEMBL526351 | 0.80 | ALDH1A1 (0.50) | CYP3A4POLBALDH1A1TDP1TSHR | |
| SCHEMBL6403160 | 0.79 | CYP3A4 (0.46) | CYP3A4CD44POLBALDH1A1TDP1 | |
| SCHEMBL31569267 | 0.79 | CYP3A4 (0.46) | CYP3A4CD44POLBALDH1A1TDP1 | |
| SCHEMBL10417671 | 0.79 | CYP3A4 (0.46) | CYP3A4CD44POLBALDH1A1TSHR | |
| SCHEMBL3671149 | 0.79 | CYP3A4 (0.46) | CYP3A4CD44POLBALDH1A1TDP1 | |
| SCHEMBL23604396 | 0.75 | CYP3A4 (0.43) | CYP3A4CD44POLBALDH1A1TDP1 | |
| SCHEMBL94507 | 0.75 | CYP3A4 (0.43) | CYP3A4CD44POLBALDH1A1TDP1 | |
| SCHEMBL21603392 | 0.75 | CYP3A4 (0.43) | CYP3A4CD44POLBALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-113880869-A | Compound, application thereof and organic electroluminescent device comprising compound | 北京鼎材科技有限公司 | 2022-01-04 | — | — | CN | disclosed |