Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.31 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.30 |
| ▸ | TYMS | P04818 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24195091 | 0.81 | AHR (0.32) | — | |
| SCHEMBL24195074 | 0.77 | CA12 (0.36) | CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL24586272 | 0.77 | AHR (0.39) | — | |
| SCHEMBL26064940 | 0.73 | — | — | |
| SCHEMBL12324273 | 0.73 | CYP1A2 (0.36) | CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL26442146 | 0.72 | ALDH1A1 (0.34) | CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL24193895 | 0.72 | KMT2A (0.48) | ATMCYP1A1CYP1A2CYP1B1 | |
| SCHEMBL21253850 | 0.70 | ATM (0.36) | ATM | |
| SCHEMBL29091850 | 0.69 | AHR (0.34) | — | |
| SCHEMBL18698088 | 0.68 | ATM (0.43) | ATMCYP1A2 |
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-2022009999-A2 | COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE | 出光興産株式会社 | 2022-01-13 | — | — | WO | disclosed |