Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 13/20 | 0.70 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.70 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.70 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.70 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.70 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.70 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.70 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.70 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.51 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.51 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL25100417 | 0.87 | HDAC6 (0.66) | HSP90AA1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL20677834 | 0.82 | HSP90AA1 (1.00) | HSP90AA1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL21644656 | 0.82 | SMN1; SMN2 (0.53) | HSP90AA1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL21644655 | 0.81 | HSP90AA1 (0.64) | HSP90AA1CYP3A4CYP2C9CYP2C19HSP90AB1 | |
| SCHEMBL28260522 | 0.74 | HDAC3 (0.78) | HDAC3HDAC1HDAC6HDAC7HDAC2 | |
| SCHEMBL21644589 | 0.74 | HSP90AA1 (0.48) | HSP90AA1HDAC3HDAC1HDAC6HDAC7 | |
| SCHEMBL30779607 | 0.74 | HSP90AA1 (0.48) | HSP90AA1HDAC3HDAC1HDAC6HDAC7 | |
| SCHEMBL19183432 | 0.73 | HSP90AA1 (1.00) | HSP90AA1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL28867177 | 0.73 | MAPK1 (0.60) | HDAC3HDAC1HDAC6HDAC7HDAC2 | |
| SCHEMBL14368640 | 0.71 | HSP90AA1 (0.46) | HSP90AA1CYP1A2CYP3A4CYP2D6CYP2C9 |
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-112661661-B | Compounds having HSP90 inhibitory activity or pharmaceutically acceptable salts thereof and medical use thereof | 恩科森株式会社 | 2023-06-27 | — | — | CN | disclosed |