Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.32 |
| ▸ | GRM3 | Q14832 | 2/20 | 0.32 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | GRM8 | O00222 | 1/20 | 0.32 |
| ▸ | GRM6 | O15303 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | MTOR | P42345 | 1/20 | 0.32 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.32 |
| ▸ | PLCB1 | Q9NQ66 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22874404 | 0.89 | CHRM2 (0.37) | CHRM2CHRM1CHRM3MAPK1TSHR | |
| SCHEMBL2306584 | 0.85 | MAPK1 (0.33) | CHRM2CHRM1CHRM3MAPK1GRM2 | |
| SCHEMBL2306586 | 0.85 | MAPK1 (0.33) | CHRM2CHRM1CHRM3MAPK1GRM2 | |
| SCHEMBL21064062 | 0.85 | CHRM2 (0.34) | CHRM2CHRM1CHRM3TSHR | |
| SCHEMBL2312894 | 0.84 | MAPK1 (0.34) | MAPK1 | |
| SCHEMBL16577989 | 0.81 | CHRM2 (0.41) | CHRM2CHRM1CHRM3MAPK1 | |
| Formic Acid SCHEMBL27651219 | 0.81 | MAPK1 (0.31) | MAPK1 | |
| SCHEMBL21114631 | 0.81 | MAPK1 (0.30) | MAPK1 | |
| SCHEMBL4499031 | 0.80 | MAPK1 (0.33) | MAPK1 | |
| SCHEMBL3295142 | 0.80 | MAPK1 (0.33) | MAPK1CYP2C19TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108486197-A | The preparation method of high-purity Yi Dushaban intermediates | 爱斯特（成都）生物制药股份有限公司 | 2018-09-04 | — | — | CN | disclosed |
| CN-107721866-A | A kind of preparation method of Yi Dushaban intermediates | 爱斯特（成都）生物制药股份有限公司 | 2018-02-23 | — | — | CN | disclosed |
| CN-1741994-A | 3-aminopyrrolidine derivatives as modulators of chemokine receptors | INCYTE CORP (US) | 2006-03-01 | — | — | CN | disclosed |