Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FER | P16591 | 5/20 | 0.47 |
| ▸ | PIP4K2A | P48426 | 7/20 | 0.46 |
| ▸ | PIK3CG | P48736 | 4/20 | 0.46 |
| ▸ | TP53 | P04637 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL30853524 | 0.91 | PIP4K2A (0.44) | PIP4K2APIK3CGTP53LMNAKDM4E | |
| SCHEMBL30853544 | 0.85 | PIP4K2A (0.43) | PIP4K2APIK3CGTP53LMNAHPGD | |
| SCHEMBL30853541 | 0.85 | PIP4K2A (0.44) | PIP4K2APIK3CGTP53LMNA | |
| SCHEMBL30853529 | 0.84 | PIP4K2A (0.51) | FERPIP4K2APIK3CGTP53LMNA | |
| SCHEMBL30853523 | 0.84 | PIP4K2A (0.47) | PIP4K2APIK3CGTP53LMNAKDM4E | |
| SCHEMBL30853521 | 0.84 | CTSS (0.43) | PIP4K2APIK3CGTP53 | |
| SCHEMBL30853537 | 0.84 | PIP4K2A (0.43) | PIP4K2APIK3CGTP53LMNAKDM4E | |
| SCHEMBL30853538 | 0.82 | PRKCQ (0.44) | PIP4K2APIK3CGLMNA | |
| SCHEMBL30853518 | 0.77 | HSP90AA1 (0.51) | FERPIP4K2APIK3CGTP53 | |
| SCHEMBL30853540 | 0.76 | PIP4K2A (0.46) | PIP4K2APIK3CGTP53LMNAMAPT |
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 |