Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 8/20 | 0.74 |
| ▸ | HPGD | P15428 | 4/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | POLA1 | P09884 | 2/20 | 0.52 |
| ▸ | HSP90AB1 | P08238 | 5/20 | 0.51 |
| ▸ | KDM1A | O60341 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL29200003 | 1.00 | HSP90AA1 (0.74) | HSP90AA1HPGDALDH1A1KDM4EPOLA1 | |
| SCHEMBL20677832 | 0.85 | HSP90AA1 (1.00) | HSP90AA1HPGDPOLA1HSP90AB1KMT2A | |
| SCHEMBL26097052 | 0.83 | HPGD (0.63) | HSP90AA1HPGDALDH1A1KDM4EPOLA1 | |
| SCHEMBL10493622 | 0.80 | KMT2A (0.63) | HSP90AA1HPGDALDH1A1KDM4EPOLA1 | |
| SCHEMBL3103510 | 0.80 | HSP90AA1 (0.53) | HSP90AA1HPGDALDH1A1KDM4EHSP90AB1 | |
| SCHEMBL485058 | 0.78 | HSP90AA1 (0.62) | HSP90AA1HPGDALDH1A1KDM4EPDK1 | |
| SCHEMBL15686093 | 0.78 | HPGD (0.68) | HPGDALDH1A1KDM4ENPC1RAB9A | |
| SCHEMBL30474394 | 0.74 | HSP90AA1 (0.57) | HSP90AA1HPGDHSP90AB1HSD17B10 | |
| SCHEMBL12658712 | 0.74 | HSP90AA1 (0.57) | HSP90AA1HPGDHSP90AB1HSD17B10 | |
| SCHEMBL20677851 | 0.73 | HSP90AA1 (1.00) | HSP90AA1PDK1 |
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 |