Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDO2 | P48775 | 16/20 | 0.64 |
| ▸ | IDO1 | P14902 | 15/20 | 0.64 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | TYR | P14679 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.45 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL22699080 | 0.79 | TDO2 (0.72) | TDO2IDO1HPGDMAPK1HTT | |
| SCHEMBL22698971 | 0.72 | TDO2 (1.00) | TDO2IDO1HPGDMAPK1HTT | |
| SCHEMBL22699001 | 0.72 | TDO2 (0.79) | TDO2IDO1HPGDMAPK1HTT | |
| SCHEMBL22698982 | 0.71 | TDO2 (0.78) | TDO2IDO1HPGDMAPK1HTT | |
| SCHEMBL22698975 | 0.71 | TDO2 (0.81) | TDO2IDO1HPGDMAPK1HTT | |
| SCHEMBL4047966 | 0.70 | TYR (0.67) | HPGDHTTTYRCA12CA2 | |
| SCHEMBL6580247 | 0.70 | CYP1A2 (0.46) | HPGDHTTSMN1; SMN2TYRADORA3 | |
| SCHEMBL6580243 | 0.70 | CYP1A2 (0.46) | HPGDHTTSMN1; SMN2TYRADORA3 | |
| SCHEMBL627775 | 0.70 | TDO2 (0.62) | TDO2IDO1HPGDMAPK1HTT | |
| SCHEMBL22699004 | 0.69 | TDO2 (0.73) | TDO2IDO1HPGDMAPK1HTT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020232807-A1 | NAPHTHOQUINONE FUSED TRIAZOLE DERIVATIVE, PREPARATION METHOD AND APPLICATION THEREOF | 广州中医药大学(广州中医药研究院) (CN) | 2020-11-26 | — | — | WO | disclosed |