Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PHGDH | O43175 | 1/20 | 0.40 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.33 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1662613 | 0.81 | ALDH1A1 (0.34) | PHGDHALDH1A1L3MBTL1SMN1; SMN2MAPK1 | |
| SCHEMBL14922282 | 0.79 | ALDH1A1 (0.51) | PHGDHALDH1A1L3MBTL1SMN1; SMN2HTT | |
| SCHEMBL12631516 | 0.77 | ALDH1A1 (0.46) | PHGDHALDH1A1L3MBTL1SMN1; SMN2KCNH2 | |
| SCHEMBL12631522 | 0.76 | SMN1; SMN2 (0.56) | ALDH1A1SMN1; SMN2HSD11B1MAPK1MAPT | |
| SCHEMBL16429868 | 0.75 | ALDH1A1 (0.46) | ALDH1A1L3MBTL1SMN1; SMN2HTTMAPK1 | |
| SCHEMBL11364687 | 0.75 | MAPT (0.60) | ALDH1A1L3MBTL1SMN1; SMN2HTTMAPK1 | |
| SCHEMBL4794953 | 0.72 | PDE7A (0.38) | PHGDHPRKCZALDH1A1SMN1; SMN2CHRM1 | |
| SCHEMBL8191985 | 0.72 | HTR1A (0.46) | ALDH1A1LMNADRD2DRD3 | |
| SCHEMBL25133038 | 0.71 | SLC6A9 (0.47) | ALDH1A1L3MBTL1KCNH2LMNA | |
| SCHEMBL671924 | 0.71 | AOC3 (0.38) | ALDH1A1SMN1; SMN2MAPK1TDP1HSD17B10 |
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-109666027-A | GPR40 agonist compound of a kind of amide structure and application thereof | 中国科学院上海药物研究所 | 2019-04-23 | — | — | CN | disclosed |