Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 5/20 | 0.45 |
| ▸ | PIM1 | P11309 | 5/20 | 0.45 |
| ▸ | GSK3B | P49841 | 5/20 | 0.45 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.45 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.45 |
| ▸ | JAK3 | P52333 | 5/20 | 0.41 |
| ▸ | JAK2 | O60674 | 3/20 | 0.41 |
| ▸ | JAK1 | P23458 | 3/20 | 0.41 |
| ▸ | TYK2 | P29597 | 3/20 | 0.41 |
| ▸ | PIK3CG | P48736 | 3/20 | 0.41 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.36 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.36 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | TDO2 | P48775 | 1/20 | 0.35 |
| ▸ | SGK1 | O00141 | 1/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL29608317 | 1.00 | PIK3CD (0.45) | PIK3CDPIM1GSK3BPIK3CAPIK3CB | |
| SCHEMBL20699367 | 0.91 | PIK3CD (0.47) | PIK3CDPIM1GSK3BPIK3CAPIK3CB | |
| SCHEMBL30161646 | 0.91 | PIK3CD (0.47) | PIK3CDPIM1GSK3BPIK3CAPIK3CB | |
| Trifluoroacetic Acid SCHEMBL28681300 | 0.90 | PIM1 (0.35) | PIK3CDPIM1GSK3BPIK3CAPIK3CB | |
| Trifluoroacetic Acid SCHEMBL28686999 | 0.89 | JAK3 (0.46) | PIK3CDPIM1GSK3BPIK3CAPIK3CB | |
| Trifluoroacetic Acid SCHEMBL28687582 | 0.88 | FGFR1 (0.42) | PIK3CDPIM1GSK3BPIK3CAPIK3CB | |
| Trifluoroacetic Acid SCHEMBL28686997 | 0.87 | JAK3 (0.47) | PIK3CDPIM1GSK3BPIK3CAPIK3CB | |
| Trifluoroacetic Acid SCHEMBL29607460 | 0.83 | SGK1 (0.40) | PIK3CDPIM1GSK3BPIK3CAPIK3CB | |
| SCHEMBL20699380 | 0.83 | PIM1 (0.46) | PIK3CDPIM1GSK3BPIK3CAPIK3CB | |
| SCHEMBL20699377 | 0.83 | PIM1 (0.46) | PIK3CDPIM1GSK3BPIK3CAPIK3CB |
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-113831326-A | Condensed heterocyclic derivative and application thereof in medicine | 四川海思科制药有限公司 | 2021-12-24 | — | — | CN | disclosed |