Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.34 |
| ▸ | CDK4 | P11802 | 2/20 | 0.33 |
| ▸ | CCND1 | P24385 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
| ▸ | F9 | P00740 | 3/20 | 0.32 |
| ▸ | NQO1 | P15559 | 1/20 | 0.32 |
| ▸ | NQO2 | P16083 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | MCL1 | Q07820 | 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 | |
|---|---|---|---|---|
| SCHEMBL25880182 | 0.97 | CYP1B1 (0.34) | CYP1B1CYP1A1CDK4CCND1CYP1A2 | |
| SCHEMBL25880183 | 0.96 | CYP1B1 (0.35) | CYP1B1CYP1A1CDK4CCND1CYP1A2 | |
| SCHEMBL24657197 | 0.95 | CYP1A1 (0.33) | CYP1B1CYP1A1CDK4CCND1CYP1A2 | |
| SCHEMBL25879318 | 0.95 | CDK4 (0.36) | CYP1B1CYP1A1CDK4CCND1CYP1A2 | |
| SCHEMBL24657228 | 0.95 | CYP1A1 (0.33) | CYP1B1CYP1A1CDK4CCND1CYP1A2 | |
| SCHEMBL25879235 | 0.94 | CDK4 (0.33) | CYP1B1CYP1A1CDK4CCND1CYP1A2 | |
| SCHEMBL25880179 | 0.93 | F9 (0.36) | CYP1B1CYP1A1CDK4CCND1CYP1A2 | |
| SCHEMBL24657223 | 0.93 | CYP1A1 (0.34) | CYP1B1CYP1A1CDK4CCND1CYP1A2 | |
| SCHEMBL25879314 | 0.93 | F9 (0.33) | CYP1B1CYP1A1CDK4CCND1CYP1A2 | |
| SCHEMBL25880178 | 0.92 | F9 (0.35) | CYP1B1CYP1A1CDK4CCND1CYP1A2 |
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-2023132694-A1 | ORGANIC LIGHT-EMITTING DEVICE | 주식회사 엘지화학 | 2023-07-13 | — | — | WO | disclosed |