Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.57 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.49 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.45 |
| ▸ | DHFR | P00374 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL978013 | 0.89 | MAOA (0.64) | MAOAHSD17B1HSD17B2CYP3A4ALDH1A1 | |
| SCHEMBL30469312 | 0.89 | MAOA (0.64) | MAOAHSD17B1HSD17B2CYP3A4ALDH1A1 | |
| SCHEMBL29303802 | 0.87 | MAOA (0.61) | MAOAHSD17B1HSD17B2CYP3A4ALDH1A1 | |
| SCHEMBL28633665 | 0.85 | CYP3A4 (0.56) | HSD17B1HSD17B2CYP3A4ALDH1A1HSD17B10 | |
| SCHEMBL24079285 | 0.84 | ALDH1A1 (0.55) | HSD17B1HSD17B2CYP3A4ALDH1A1HSD17B10 | |
| SCHEMBL24079323 | 0.83 | CYP3A4 (0.53) | MAOAHSD17B1HSD17B2CYP3A4ALDH1A1 | |
| SCHEMBL31302866 | 0.83 | CYP3A4 (0.53) | MAOAHSD17B1HSD17B2CYP3A4ALDH1A1 | |
| SCHEMBL30127816 | 0.83 | CYP3A4 (0.53) | MAOAHSD17B1HSD17B2CYP3A4ALDH1A1 | |
| SCHEMBL27336143 | 0.81 | MAOA (0.58) | MAOACYP3A4ALDH1A1HSD17B10MAPT | |
| SCHEMBL10492397 | 0.81 | GSTP1 (0.61) | HSD17B1HSD17B2ALDH1A1HSD17B10GSTP1 |
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 |