Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.59 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | TNF | P01375 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | RAD52 | P43351 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | GPR3 | P46089 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.41 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Phenanthrene SCHEMBL28062390 | 0.87 | ALDH1A1 (0.77) | CYP3A4ALDH1A1KDM4EHTTPOLB | |
| Phenanthrene SCHEMBL28090206 | 0.85 | ALDH1A1 (0.74) | CYP3A4ALDH1A1KDM4EHTTPOLB | |
| SCHEMBL15077 | 0.85 | ALDH1A1 (0.57) | CYP3A4ALDH1A1MAPK10KDM4EHTT | |
| SCHEMBL29568863 | 0.84 | CYP3A4 (0.66) | CYP3A4MAPK10KDM4EHTTTNF | |
| SCHEMBL1419153 | 0.84 | CYP3A4 (0.66) | CYP3A4MAPK10KDM4EHTTTNF | |
| SCHEMBL29035751 | 0.83 | KDM4E (0.55) | CYP3A4ALDH1A1MAPK10KDM4EHTT | |
| Isoquinoline SCHEMBL27938240 | 0.82 | ALDH1A1 (0.68) | CYP3A4ALDH1A1KDM4EHTTPOLB | |
| Isoquinoline SCHEMBL1505711 | 0.82 | ALDH1A1 (0.68) | CYP3A4ALDH1A1KDM4EHTTPOLB | |
| Quinoline SCHEMBL28269861 | 0.82 | CYP3A4 (0.88) | CYP3A4ALDH1A1KDM4EHTTPOLB | |
| SCHEMBL30858829 | 0.81 | HPRT1 (0.61) | CYP3A4ALDH1A1MAPK10KDM4EHTT |
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-117736223-A | Organic compound, electro-optical device including the same, and electronic apparatus | 三星显示有限公司 | 2024-03-22 | — | — | CN | disclosed |