Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | HPGD | P15428 | 4/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 6/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL979002 | 0.85 | NPC1 (0.48) | HDAC6ALDH1A1KDM1ARAB9AHDAC2 | |
| SCHEMBL13822878 | 0.84 | KDM1A (0.51) | HDAC6ALDH1A1HPGDMAPK1KDM1A | |
| SCHEMBL975199 | 0.83 | L3MBTL1 (0.44) | HDAC6ALDH1A1HPGDRAB9AKDM4E | |
| SCHEMBL978070 | 0.83 | HTR2C (0.52) | RAB9AHDAC2MAPTKMT2AMEN1 | |
| SCHEMBL975053 | 0.82 | SMN1; SMN2 (0.41) | HDAC6ALDH1A1HPGDRAB9AKDM4E | |
| SCHEMBL976172 | 0.81 | MEN1 (0.45) | HDAC6ALDH1A1HPGDKDM1ARAB9A | |
| SCHEMBL978288 | 0.81 | ALDH1A1 (0.43) | HDAC6ALDH1A1KDM1ARAB9AKDM4E | |
| SCHEMBL13822812 | 0.76 | KDM1A (0.60) | HDAC6ALDH1A1HPGDMAPK1KDM1A | |
| SCHEMBL1175185 | 0.74 | RAB9A (0.60) | HDAC6ALDH1A1TP53MAPK1RAB9A | |
| SCHEMBL13822935 | 0.74 | MAPT (0.37) | HDAC6ALDH1A1TP53KDM4EHDAC2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2197552-B1 | NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS | 4SC AG (DE) | 2012-11-21 | — | — | EP | claimed |