Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AB1 | P08238 | 4/20 | 0.51 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.51 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.42 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.42 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.40 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL25216919 | 0.91 | HSP90AB1 (0.58) | HSP90AB1HSP90AA1HSP90B1MEN1KMT2A | |
| SCHEMBL31363033 | 0.90 | HSP90AB1 (0.55) | HSP90AB1HSP90AA1HSP90B1MEN1KMT2A | |
| SCHEMBL384471 | 0.89 | HSP90AB1 (0.64) | HSP90AB1HSP90AA1HSP90B1MEN1KMT2A | |
| SCHEMBL25260723 | 0.88 | HSP90AA1 (0.54) | HSP90AB1HSP90AA1HSP90B1MEN1KMT2A | |
| SCHEMBL25317220 | 0.87 | HSP90AB1 (0.54) | HSP90AB1HSP90AA1HSP90B1MEN1KMT2A | |
| SCHEMBL16582202 | 0.86 | HSP90AB1 (0.53) | HSP90AB1HSP90AA1HSP90B1MEN1KMT2A | |
| SCHEMBL30829338 | 0.86 | HSP90AB1 (0.53) | HSP90AB1HSP90AA1HSP90B1MEN1KMT2A | |
| SCHEMBL31626908 | 0.86 | HSP90AA1 (0.51) | HSP90AB1HSP90AA1HSP90B1MEN1KMT2A | |
| SCHEMBL31551059 | 0.86 | HSP90AA1 (0.51) | HSP90AB1HSP90AA1HSP90B1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL16569693 | 0.85 | HSP90AB1 (0.52) | HSP90AB1HSP90AA1HSP90B1MEN1KMT2A |
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-119100970-A | Bivalent inhibitor based on heat shock protein 90 and preparation method and application thereof | 中国药科大学 | 2024-12-10 | — | — | CN | disclosed |