Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 3/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.42 |
| ▸ | MTOR | P42345 | 7/20 | 0.41 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | PIK3C3 | Q8NEB9 | 3/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | GRM1 | Q13255 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28543249 | 1.00 | ATR (0.42) | ATRPDE4DMTORPIK3CDPIK3CA | |
| SCHEMBL28539899 | 0.85 | ATR (0.55) | ATRPDE4DMTORPIK3CDPIK3CA | |
| SCHEMBL28539901 | 0.85 | ATR (0.55) | ATRPDE4DMTORPIK3CDPIK3CA | |
| SCHEMBL29442179 | 0.85 | ATR (0.55) | ATRPDE4DMTORPIK3CDPIK3CA | |
| SCHEMBL2127456 | 0.85 | ATR (0.55) | ATRPDE4DMTORPIK3CDPIK3CA | |
| SCHEMBL27517643 | 0.70 | KDM4E (0.43) | ATRPDE4DMTORKDM4EALDH1A1 | |
| SCHEMBL27578290 | 0.70 | KDM4E (0.43) | ATRPDE4DMTORPIK3C3KDM4E | |
| SCHEMBL23875354 | 0.69 | GRM1 (0.48) | GRM1KDM4EALDH1A1 | |
| SCHEMBL18553331 | 0.69 | GRM1 (0.48) | GRM1KDM4EALDH1A1 | |
| SCHEMBL26972626 | 0.69 | GRM1 (0.48) | GRM1KDM4EALDH1A1 |
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-110407833-B | Deuterated Vissturtib compound and application thereof | 海创药业股份有限公司 | 2021-03-09 | — | — | CN | disclosed |