Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKCQ | Q04759 | 5/20 | 0.44 |
| ▸ | PIP4K2A | P48426 | 7/20 | 0.42 |
| ▸ | PIK3CG | P48736 | 4/20 | 0.42 |
| ▸ | PRKCD | Q05655 | 4/20 | 0.41 |
| ▸ | ADK | P55263 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.36 |
| ▸ | CDK1 | P06493 | 1/20 | 0.36 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.36 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | GSK3A | P49840 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30853540 | 0.93 | PIP4K2A (0.46) | PRKCQPIP4K2APIK3CGPRKCDLMNA | |
| SCHEMBL30853524 | 0.91 | PIP4K2A (0.44) | PIP4K2APIK3CGLMNA | |
| SCHEMBL30853541 | 0.91 | PIP4K2A (0.44) | PRKCQPIP4K2APIK3CGPRKCDLMNA | |
| SCHEMBL30853528 | 0.88 | PIP4K2A (0.42) | PRKCQPIP4K2APIK3CGPRKCDUSP2 | |
| SCHEMBL30853523 | 0.84 | PIP4K2A (0.47) | PIP4K2APIK3CGLMNA | |
| SCHEMBL30853542 | 0.84 | HSP90AA1 (0.54) | PIP4K2APIK3CGHSP90AA1MAPK8MAPK9 | |
| SCHEMBL30853522 | 0.82 | FER (0.47) | PIP4K2APIK3CGLMNA | |
| SCHEMBL30853544 | 0.81 | PIP4K2A (0.43) | PIP4K2APIK3CGLMNACYP1A2CYP3A4 | |
| SCHEMBL30853521 | 0.81 | CTSS (0.43) | PIP4K2APIK3CGJAK2BRD4AR | |
| SCHEMBL30853537 | 0.79 | PIP4K2A (0.43) | PIP4K2APIK3CGLMNA |
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-118047781-A | HSP90 inhibitor and preparation method and application thereof | 广西大学 | 2024-05-17 | — | — | CN | disclosed |