Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.50 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.50 |
| ▸ | IDO1 | P14902 | 1/20 | 0.48 |
| ▸ | TDO2 | P48775 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | LCK | P06239 | 1/20 | 0.47 |
| ▸ | CTSL | P07711 | 1/20 | 0.47 |
| ▸ | PTPRC | P08575 | 1/20 | 0.47 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | CTSS | P25774 | 1/20 | 0.47 |
| ▸ | PTPN13 | Q12923 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9447193 | 0.87 | CYP1A2 (0.56) | CYP1A2CYP2C9CYP2C19L3MBTL1LMNA | |
| SCHEMBL8102792 | 0.87 | CYP1A2 (0.73) | CYP1A2CYP2C9CYP2C19L3MBTL1LMNA | |
| SCHEMBL5952099 | 0.81 | ALDH1A1 (0.62) | LMNAMAPTALDH1A1KDM4E | |
| SCHEMBL18467344 | 0.81 | ALDH1A1 (0.58) | CYP1A2CYP2C9CYP2C19IMPDH2IMPDH1 | |
| SCHEMBL14667344 | 0.81 | L3MBTL1 (0.67) | CYP1A2L3MBTL1MAPTNPSR1LCK | |
| SCHEMBL5404961 | 0.80 | CYP2C9 (0.60) | CYP1A2CYP2C9CYP2C19L3MBTL1LMNA | |
| SCHEMBL14496900 | 0.80 | MAPT (0.53) | CYP1A2CYP2C9CYP2C19L3MBTL1LMNA | |
| SCHEMBL1285002 | 0.79 | CYP1A2 (0.59) | CYP1A2CYP2C9CYP2C19L3MBTL1LMNA | |
| SCHEMBL30223469 | 0.79 | CYP1A2 (0.59) | CYP1A2CYP2C9CYP2C19L3MBTL1LMNA | |
| SCHEMBL344338 | 0.79 | GRM4 (0.57) | CYP1A2CYP2C9CYP2C19L3MBTL1LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113912529-B | Method for synthesizing indole compounds by catalyzing N-aryl amide compounds and vinylene carbonate with ruthenium | 成都大学 | 2023-07-25 | — | — | CN | disclosed |
| CN-113912529-A | Method for synthesizing indole compound by catalyzing N-aryl amide compound and vinylene carbonate with ruthenium | 成都大学 | 2022-01-11 | — | — | CN | disclosed |