Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 9/20 | 0.68 |
| ▸ | HSD17B2 | P37059 | 8/20 | 0.48 |
| ▸ | HSD17B1 | P14061 | 7/20 | 0.48 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.46 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL19183436 | 0.84 | HSP90AA1 (0.64) | HSP90AA1PDK1KMT2A | |
| SCHEMBL20677844 | 0.81 | HSP90AA1 (1.00) | HSP90AA1PDK1HSP90AB1 | |
| SCHEMBL19182704 | 0.77 | HSP90AA1 (0.65) | HSP90AA1HSP90AB1KMT2AMEN1 | |
| SCHEMBL19182759 | 0.76 | HSP90AA1 (0.66) | HSP90AA1HSD17B2PDK1KMT2AMEN1 | |
| SCHEMBL28867182 | 0.76 | HSP90AA1 (0.67) | HSP90AA1 | |
| SCHEMBL28260525 | 0.74 | HSP90AA1 (0.67) | HSP90AA1PDK1 | |
| SCHEMBL18773897 | 0.74 | KMT2A (0.69) | HSP90AA1HSD17B2HSD17B1KMT2AMEN1 | |
| SCHEMBL28958770 | 0.73 | HSP90AA1 (0.58) | HSP90AA1HSD17B2HSD17B1PDK1KMT2A | |
| SCHEMBL13114705 | 0.72 | HSP90AA1 (0.56) | HSP90AA1HSD17B2HSD17B1KMT2AMEN1 | |
| SCHEMBL18773963 | 0.71 | MEN1 (0.60) | HSP90AA1HSD17B2HSD17B1KMT2AMEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108884021-A | Novel compound having HSP90 inhibitory activity or pharmaceutically acceptable salt thereof and medical use thereof | 启明大学校产学协力团 | 2018-11-23 | — | — | CN | disclosed |
| WO-2017131500-A1 | NOVEL COMPOUND HAVING HSP90 INHIBITORY ACTIVITY OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND MEDICAL USE THEREOF | 계명대학교 산학협력단 | 2017-08-03 | — | — | WO | disclosed |