Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.46 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.46 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.45 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.36 |
| ▸ | NAMPT | P43490 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30368417 | 0.94 | HSP90AA1 (0.44) | HSP90AA1HSP90AB1HSP90B1ROCK1ROCK2 | |
| SCHEMBL30368298 | 0.91 | HSP90AA1 (0.42) | HSP90AA1HSP90AB1HSP90B1ROCK1ROCK2 | |
| SCHEMBL30368421 | 0.89 | HSP90AA1 (0.40) | HSP90AA1HSP90AB1HSP90B1ROCK1ROCK2 | |
| SCHEMBL30958001 | 0.83 | CHRM3 (0.37) | HSP90AA1HSP90AB1HSP90B1ROCK1ALDH1A1 | |
| SCHEMBL30957997 | 0.81 | AVPR1B (0.34) | HSP90AA1HSP90AB1HSP90B1 | |
| SCHEMBL30301565 | 0.78 | HSP90AA1 (0.62) | HSP90AA1HSP90AB1HSP90B1ROCK1ROCK2 | |
| SCHEMBL30958009 | 0.78 | SUCNR1 (0.38) | NAMPTPKM | |
| SCHEMBL30301765 | 0.77 | HSP90AA1 (0.46) | HSP90AA1HSP90AB1HSP90B1ROCK1ROCK2 | |
| SCHEMBL30970488 | 0.76 | HSP90AA1 (0.40) | HSP90AA1NAMPTALDH1A1KDM4ECA2 | |
| SCHEMBL30970491 | 0.75 | KCNA1 (0.36) | HSP90AA1NAMPTALDH1A1ACHELMNA |
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-115996907-A | Inhibitors of MLH1 and/or PMS2 for cancer treatment | 奈奥芬莱有限公司 | 2023-04-21 | — | — | CN | disclosed |