Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CASP7 | P55210 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL106276 | 0.77 | ALDH1A1 (0.46) | NOS2CYP3A4TSHREGFRERBB2 | |
| SCHEMBL19662105 | 0.72 | TUBB1 (0.38) | NOS2CYP3A4EGFRERBB2CYP1A2 | |
| SCHEMBL14173720 | 0.70 | PTGS1 (0.53) | CYP3A4EGFRERBB2CYP1A2ALOX5 | |
| SCHEMBL27984436 | 0.68 | CASP1 (0.44) | CYP3A4TSHRMAPK1ALDH1A1CYP1A2 | |
| SCHEMBL3347824 | 0.68 | ALDH1A1 (0.52) | NOS2CYP3A4TSHRMAPK1ALDH1A1 | |
| SCHEMBL28461453 | 0.65 | ALDH1A1 (0.34) | NOS2CYP3A4TSHRALDH1A1ALOX15 | |
| SCHEMBL17873660 | 0.65 | EGFR (0.43) | CYP3A4TSHREGFRERBB2ALDH1A1 | |
| SCHEMBL17884073 | 0.65 | EGFR (0.43) | CYP3A4TSHREGFRERBB2ALDH1A1 | |
| SCHEMBL17873661 | 0.65 | EGFR (0.43) | CYP3A4TSHREGFRERBB2ALDH1A1 | |
| SCHEMBL15285867 | 0.64 | CYP3A4 (0.40) | CYP3A4TSHRMAPK1ALDH1A1CYP1A2 |
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-111683955-A | Compound and organic light-emitting element comprising same | 株式会社LG化学 | 2020-09-18 | — | — | CN | disclosed |