Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.42 |
| ▸ | FYN | P06241 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | AHR | P35869 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | HPGD | P15428 | 5/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | NQO1 | P15559 | 1/20 | 0.38 |
| ▸ | NQO2 | P16083 | 1/20 | 0.38 |
| ▸ | GPR3 | P46089 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.36 |
| ▸ | CASP1 | P29466 | 2/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22707380 | 0.93 | CYP1A2 (0.40) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL24236365 | 0.91 | GPR3 (0.38) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL20650552 | 0.87 | ALDH1A1 (0.46) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL24236230 | 0.85 | BRDT (0.38) | MAOAALDH1A1HPGDHSD17B10NQO1 | |
| SCHEMBL25969547 | 0.84 | ALOX5 (0.45) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL25969560 | 0.82 | CYP1A2 (0.43) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL25969572 | 0.82 | CYP1A2 (0.40) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL24236152 | 0.82 | MEN1 (0.33) | ALDH1A1HPGDHSD17B10NQO1NQO2 | |
| SCHEMBL20650700 | 0.82 | GPR3 (0.43) | ALDH1A1HPGDHSD17B10NQO1NQO2 | |
| SCHEMBL22707381 | 0.81 | ALOX5 (0.45) | CYP1A2ERBB2FYNMAOAACHE |
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 |
|---|---|---|---|---|---|---|---|
| US-20230255102-A1 | PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME | DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) | 2023-08-10 | — | — | US | disclosed |