Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | RAD52 | P43351 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 5/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 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 | |
|---|---|---|---|---|
| SCHEMBL109502 | 0.86 | CYP3A4 (0.47) | CYP3A4POLBMAPTPKMRAD52 | |
| SCHEMBL3333505 | 0.80 | CYP3A4 (0.57) | CYP3A4MAPTTRPA1CYP1A2CYP2A6 | |
| SCHEMBL665041 | 0.78 | CYP3A4 (0.53) | CYP3A4POLBMAPTPKMRAD52 | |
| SCHEMBL112471 | 0.76 | POLB (0.41) | CYP3A4POLBMAPTPKMRAD52 | |
| SCHEMBL661077 | 0.76 | CYP3A4 (0.48) | CYP3A4POLBMAPTPKMRAD52 | |
| SCHEMBL29589760 | 0.76 | CYP3A4 (0.48) | CYP3A4POLBMAPTPKMRAD52 | |
| SCHEMBL17473106 | 0.74 | CYP1A2 (0.40) | CYP3A4POLBMAPTPKMRAD52 | |
| SCHEMBL29642622 | 0.73 | CYP3A4 (0.46) | CYP3A4POLBMAPTPKMRAD52 | |
| SCHEMBL663309 | 0.73 | CYP3A4 (0.46) | CYP3A4POLBMAPTPKMRAD52 | |
| SCHEMBL48303 | 0.72 | CYP3A4 (0.45) | CYP3A4POLBMAPTPKMRAD52 |
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-112543776-A | Polymerizable composition and optical material prepared from same | SKC株式会社 | 2021-03-23 | — | — | CN | disclosed |