Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.36 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.36 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.36 |
| ▸ | TPSAB1 | Q15661 | 3/20 | 0.35 |
| ▸ | TPSD1 | Q9BZJ3 | 3/20 | 0.35 |
| ▸ | TPSG1 | Q9NRR2 | 3/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28999414 | 0.86 | ATM (0.43) | ATMSMN1; SMN2PDE4BALDH1A1MAPK1 | |
| SCHEMBL21634671 | 0.84 | HPGD (0.48) | ATMSMN1; SMN2CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL9829905 | 0.83 | TPSAB1 (0.38) | ATMSMN1; SMN2DPP4DPP8DPP9 | |
| SCHEMBL28591188 | 0.82 | BTK (0.41) | — | |
| SCHEMBL29117225 | 0.82 | ALDH1A1 (0.50) | SMN1; SMN2GLAHSD17B10CHRNB2CHRNA3 | |
| SCHEMBL29117223 | 0.82 | ALDH1A1 (0.50) | SMN1; SMN2GLAHSD17B10CHRNB2CHRNA3 | |
| SCHEMBL20240601 | 0.82 | BTK (0.41) | — | |
| SCHEMBL23581420 | 0.81 | DPP4 (0.45) | SMN1; SMN2PDE4BDPP4DPP7ALDH1A1 | |
| SCHEMBL6498939 | 0.79 | HPGD (0.51) | ATMSMN1; SMN2PDE4BALDH1A1 | |
| SCHEMBL29260064 | 0.79 | CA2 (0.50) | ATMSMN1; SMN2DPP4DPP8DPP9 |
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-106188027-B | Aromatic heterocyclic derivative and application thereof in medicine | 广东东阳光药业有限公司 | 2020-10-20 | — | — | CN | disclosed |