Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIP4K2A | P48426 | 2/20 | 0.51 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.51 |
| ▸ | FER | P16591 | 6/20 | 0.50 |
| ▸ | SYK | P43405 | 6/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.44 |
| ▸ | MAPK3 | P27361 | 4/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.44 |
| ▸ | AURKB | Q96GD4 | 4/20 | 0.44 |
| ▸ | GP6 | Q9HCN6 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30853518 | 0.93 | HSP90AA1 (0.51) | PIP4K2APIK3CGFERTP53HSP90AA1 | |
| SCHEMBL30853526 | 0.91 | PIP4K2A (0.46) | PIP4K2APIK3CGSYKTP53KDM4E | |
| SCHEMBL30853536 | 0.88 | PIP4K2A (0.45) | PIP4K2APIK3CGSYKTP53HSP90AA1 | |
| SCHEMBL30853543 | 0.86 | HSP90AA1 (0.49) | PIP4K2APIK3CGHSP90AA1 | |
| SCHEMBL30853539 | 0.86 | PIP4K2A (0.47) | PIP4K2APIK3CGSYKHSP90AA1 | |
| SCHEMBL30853531 | 0.86 | PIP4K2A (0.47) | PIP4K2APIK3CGSYKHSP90AA1 | |
| SCHEMBL30853520 | 0.84 | PIP4K2A (0.45) | PIP4K2APIK3CGSYKAURKBHSP90AA1 | |
| SCHEMBL30853519 | 0.84 | HSP90AA1 (0.43) | PIP4K2APIK3CGSYKLMNAKDM4E | |
| SCHEMBL30853522 | 0.84 | FER (0.47) | PIP4K2APIK3CGFERMAPK1LMNA | |
| SCHEMBL30853542 | 0.84 | HSP90AA1 (0.54) | PIP4K2APIK3CGHSP90AA1 |
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 |