Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 2/20 | 0.40 |
| ▸ | NQO1 | P15559 | 1/20 | 0.40 |
| ▸ | GPR3 | P46089 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.36 |
| ▸ | PRNP | P04156 | 1/20 | 0.35 |
| ▸ | HPRT1 | P00492 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 4/20 | 0.34 |
| ▸ | RAB9A | P51151 | 4/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9537997 | 0.81 | GPR3 (0.54) | NQO2NQO1GPR3HSD17B10ALDH1A1 | |
| SCHEMBL29702995 | 0.81 | GPR3 (0.54) | NQO2NQO1GPR3HSD17B10ALDH1A1 | |
| SCHEMBL29436076 | 0.81 | GPR3 (0.54) | NQO2NQO1GPR3HSD17B10ALDH1A1 | |
| SCHEMBL17228825 | 0.81 | GPR3 (0.50) | NQO2NQO1GPR3HSD17B10ALDH1A1 | |
| SCHEMBL13250614 | 0.80 | HSD17B10 (0.45) | NQO2NQO1GPR3HSD17B10ALDH1A1 | |
| Water SCHEMBL28226760 | 0.80 | GPR3 (0.52) | NQO2NQO1GPR3HSD17B10ALDH1A1 | |
| SCHEMBL30960394 | 0.79 | CYP2A6 (0.44) | NQO2NQO1GPR3HSD17B10ALDH1A1 | |
| SCHEMBL31526973 | 0.79 | ALDH1A1 (0.53) | NQO2NQO1GPR3HSD17B10ALDH1A1 | |
| SCHEMBL22174349 | 0.79 | KDM4E (0.56) | NQO2NQO1GPR3HSD17B10ALDH1A1 | |
| SCHEMBL20960986 | 0.79 | ALDH1A1 (0.53) | NQO2NQO1GPR3HSD17B10ALDH1A1 |
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-2018038464-A1 | ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME | 주식회사 두산 | 2018-03-01 | — | — | WO | disclosed |