Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.56 |
| ▸ | ESR1 | P03372 | 1/20 | 0.53 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.53 |
| ▸ | PRKCZ | Q05513 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | PLAU | P00749 | 1/20 | 0.49 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
| ▸ | CASP7 | P55210 | 1/20 | 0.48 |
| ▸ | HBB | P68871 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL29441264 | 0.92 | CYP3A4 (0.65) | CYP3A4ALDH1A1HSD17B10ESR1ESR2 | |
| SCHEMBL28981808 | 0.92 | CYP3A4 (0.65) | CYP3A4ALDH1A1HSD17B10ESR1ESR2 | |
| SCHEMBL28528867 | 0.92 | CYP3A4 (0.65) | CYP3A4ALDH1A1HSD17B10ESR1ESR2 | |
| SCHEMBL6537114 | 0.92 | CYP3A4 (0.65) | CYP3A4ALDH1A1HSD17B10ESR1ESR2 | |
| SCHEMBL27557165 | 0.87 | CYP3A4 (0.55) | CYP3A4ALDH1A1HSD17B10ESR1ESR2 | |
| SCHEMBL24079285 | 0.87 | ALDH1A1 (0.55) | CYP3A4ALDH1A1HSD17B10ESR1ESR2 | |
| SCHEMBL31302866 | 0.85 | CYP3A4 (0.53) | CYP3A4ALDH1A1HSD17B10ESR1ESR2 | |
| SCHEMBL28635558 | 0.85 | MAOA (0.57) | CYP3A4ALDH1A1HSD17B10ESR1ESR2 | |
| SCHEMBL24079323 | 0.85 | CYP3A4 (0.53) | CYP3A4ALDH1A1HSD17B10ESR1ESR2 | |
| SCHEMBL30127816 | 0.85 | CYP3A4 (0.53) | CYP3A4ALDH1A1HSD17B10ESR1ESR2 |
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-113493448-A | Compound for organic photoelectric device, composition for organic photoelectric device, and display device | 三星SDI株式会社 | 2021-10-12 | — | — | CN | disclosed |