Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIP4K2A | P48426 | 6/20 | 0.47 |
| ▸ | PIK3CG | P48736 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 5/20 | 0.42 |
| ▸ | TP53 | P04637 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | TEK | Q02763 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 2/20 | 0.38 |
| ▸ | TTBK1 | Q5TCY1 | 1/20 | 0.38 |
| ▸ | TTBK2 | Q6IQ55 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.37 |
| ▸ | EPHB2 | P29323 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | RAF1 | P04049 | 2/20 | 0.37 |
| ▸ | MAP2K1 | Q02750 | 2/20 | 0.37 |
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 | 0.93 | PIP4K2A (0.44) | PIP4K2APIK3CGMAPTTP53LMNA | |
| SCHEMBL30853540 | 0.92 | PIP4K2A (0.46) | PIP4K2APIK3CGMAPTTP53LMNA | |
| SCHEMBL30853521 | 0.85 | CTSS (0.43) | PIP4K2APIK3CGTP53EGFR | |
| SCHEMBL30853544 | 0.85 | PIP4K2A (0.43) | PIP4K2APIK3CGMAPTTP53LMNA | |
| SCHEMBL30853533 | 0.84 | PIP4K2A (0.46) | PIP4K2APIK3CGMAPTTP53LMNA | |
| SCHEMBL30853538 | 0.84 | PRKCQ (0.44) | PIP4K2APIK3CGLMNA | |
| SCHEMBL30853537 | 0.84 | PIP4K2A (0.43) | PIP4K2APIK3CGMAPTTP53LMNA | |
| SCHEMBL30853522 | 0.84 | FER (0.47) | PIP4K2APIK3CGMAPTTP53LMNA | |
| SCHEMBL30853541 | 0.77 | PIP4K2A (0.44) | PIP4K2APIK3CGTP53LMNA | |
| SCHEMBL30853526 | 0.76 | PIP4K2A (0.46) | PIP4K2APIK3CGTP53KDM4ENPC1 |
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 |