Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNC | P24863 | 2/20 | 0.34 |
| ▸ | CDK8 | P49336 | 2/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.34 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.34 |
| ▸ | NMT1 | P30419 | 1/20 | 0.33 |
| ▸ | ACLY | P53396 | 1/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.32 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.31 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.31 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.31 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.31 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23123280 | 1.00 | CCNC (0.34) | CCNCCDK8PIK3CDPIK3CAPIK3CB | |
| SCHEMBL29789952 | 0.73 | PDK2 (0.36) | PIK3CDPIK3CAPIK3CGPDK2 | |
| SCHEMBL23123380 | 0.73 | PDK2 (0.36) | PIK3CDPIK3CAPIK3CGPDK2 | |
| SCHEMBL23123492 | 0.71 | BRD4 (0.38) | BACE1BACE2PGRBRD4 | |
| SCHEMBL29789762 | 0.71 | BRD4 (0.38) | BACE1BACE2PGRBRD4 | |
| SCHEMBL23123752 | 0.70 | AR (0.41) | CCNCCDK8PIK3CDPIK3CAPIK3CB | |
| SCHEMBL29789713 | 0.70 | AR (0.41) | CCNCCDK8PIK3CDPIK3CAPIK3CB | |
| SCHEMBL16984616 | 0.67 | USP2 (0.45) | CCNCCDK8HDAC4NMT1RIPK2 | |
| SCHEMBL23123305 | 0.67 | QDPR (0.49) | — | |
| SCHEMBL29789821 | 0.67 | QDPR (0.49) | — |
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-114901652-A | Substituted saturated and unsaturated N-heterocyclic carboxamides and related compounds for the treatment of medical disorders | 比亚尔R&D投资股份公司 | 2022-08-12 | — | — | CN | disclosed |