Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 9/20 | 0.78 |
| ▸ | HDAC1 | Q13547 | 8/20 | 0.78 |
| ▸ | HDAC2 | Q92769 | 6/20 | 0.78 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.69 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.61 |
| ▸ | LMNA | P02545 | 2/20 | 0.60 |
| ▸ | RAB9A | P51151 | 1/20 | 0.60 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.60 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.60 |
| ▸ | POLB | P06746 | 2/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | RECQL | P46063 | 1/20 | 0.60 |
| ▸ | PPARG | P37231 | 1/20 | 0.59 |
| ▸ | NAAA | Q02083 | 1/20 | 0.59 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.59 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.59 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.59 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.59 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL21435753 | 0.88 | HDAC3 (1.00) | HDAC3HDAC1HDAC2HDAC6HDAC8 | |
| SCHEMBL334957 | 0.88 | NAAA (0.73) | HDAC3HDAC1HDAC2HDAC6HDAC8 | |
| Benzene SCHEMBL28248159 | 0.88 | NAAA (0.73) | HDAC3HDAC1HDAC2HDAC6HDAC8 | |
| SCHEMBL11341368 | 0.86 | NAAA (0.71) | HDAC3HDAC1HDAC2HDAC6HDAC8 | |
| SCHEMBL11338329 | 0.86 | NAAA (0.71) | HDAC3HDAC1HDAC2HDAC6HDAC8 | |
| SCHEMBL11348229 | 0.86 | NAAA (0.71) | HDAC3HDAC1HDAC2HDAC6HDAC8 | |
| Hydrochloric Acid SCHEMBL7763902 | 0.86 | NAAA (0.71) | HDAC3HDAC1HDAC2HDAC6HDAC8 | |
| SCHEMBL28867177 | 0.86 | MAPK1 (0.60) | HDAC3HDAC1HDAC2HDAC6HDAC8 | |
| SCHEMBL1927473 | 0.85 | RAB9A (0.67) | HDAC3HDAC1HDAC2HDAC6HDAC8 | |
| SCHEMBL1926268 | 0.85 | HDAC2 (0.58) | HDAC3HDAC1HDAC2HDAC6HDAC8 |
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-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 |