Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROR1 | Q01973 | 1/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.56 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.48 |
| ▸ | PDE4A | P27815 | 1/20 | 0.48 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.48 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | XDH | P47989 | 2/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL18526950 | 0.90 | ROR1 (0.64) | ROR1CYP3A4ABCG2ALDH1A1HPGD | |
| SCHEMBL8069162 | 0.89 | ALDH1A1 (0.65) | ROR1CYP3A4ABCG2ALDH1A1HPGD | |
| SCHEMBL13708477 | 0.85 | ROR1 (0.82) | ROR1CYP3A4ABCG2ALDH1A1HPGD | |
| SCHEMBL14242303 | 0.81 | ROR1 (0.91) | ROR1CYP3A4ABCG2ALDH1A1HPGD | |
| SCHEMBL8064414 | 0.81 | TAS2R31 (0.53) | CYP3A4ABCG2ALDH1A1HPGDMAPK1 | |
| SCHEMBL22465616 | 0.81 | ROR1 (0.69) | ROR1CYP3A4ABCG2ALDH1A1HPGD | |
| SCHEMBL7064285 | 0.80 | HSD17B10 (0.54) | ROR1CYP3A4ABCG2ALDH1A1HPGD | |
| SCHEMBL8063014 | 0.79 | PDE4A (0.54) | ABCG2PDE4DPDE4APDE4BPDE4C | |
| SCHEMBL16099332 | 0.78 | ROR1 (0.67) | ROR1CYP3A4ABCG2ALDH1A1HPGD | |
| SCHEMBL28320416 | 0.77 | ALDH1A1 (0.56) | CYP3A4ALDH1A1HPGDMAPK1HSD17B10 |
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-110294732-A | Medical compounds and its application for treating hepatopathy | 江苏新元素医药科技有限公司 | 2019-10-01 | — | — | CN | disclosed |