Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 7/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 6/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 6/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 6/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 6/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28123525 | 0.90 | MEN1 (0.48) | HDAC6GAAMEN1KMT2AKDM4E | |
| SCHEMBL28838809 | 0.90 | HDAC6 (0.58) | HDAC6MEN1KMT2ANPC1MAPT | |
| SCHEMBL28123442 | 0.88 | HDAC6 (0.58) | HDAC6MEN1KMT2AMAPTMAPK1 | |
| SCHEMBL28124048 | 0.88 | HDAC6 (0.60) | HDAC6MEN1KMT2AKDM4EMAPT | |
| SCHEMBL28124042 | 0.87 | HDAC6 (0.58) | HDAC6MEN1KMT2ANPC1POLB | |
| SCHEMBL28123455 | 0.86 | HDAC3 (0.52) | HDAC6GAAMEN1KMT2AKDM4E | |
| SCHEMBL28124052 | 0.82 | HDAC6 (0.56) | HDAC6MEN1KMT2AMAPTMAPK1 | |
| SCHEMBL28838815 | 0.81 | HDAC6 (0.58) | HDAC6MEN1KMT2AMAPTMAPK1 | |
| SCHEMBL28123453 | 0.78 | LMNA (0.54) | HDAC6MEN1KMT2AKDM4ENPC1 | |
| SCHEMBL28124050 | 0.78 | ALDH1A1 (0.62) | HDAC6MEN1KMT2AKDM4EPOLB |
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-104592116-B | 1,3,5-trisubstituted pyrazole compounds, and preparation method and application thereof | 山东大学 | 2017-01-11 | — | — | CN | claimed |
| CN-104592116-B | 1,3,5-trisubstituted pyrazole compounds, and preparation method and application thereof | 山东大学 | 2017-01-11 | — | — | CN | disclosed |