Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 1/20 | 0.46 |
| ▸ | BRD4 | O60885 | 2/20 | 0.44 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.42 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.41 |
| ▸ | GRK6 | P43250 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | IKBKB | O14920 | 2/20 | 0.37 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.35 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.35 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.34 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.34 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3789578 | 0.79 | BTK (0.51) | BTKBRD4BCAT2GRK6ALDH1A1 | |
| SCHEMBL27621512 | 0.78 | BTK (0.50) | BTKBRD4PDK2BCAT2GRK6 | |
| SCHEMBL1250166 | 0.76 | BCAT2 (0.61) | BTKBRD4BCAT2GRK6ALDH1A1 | |
| SCHEMBL28021807 | 0.74 | BCAT2 (0.59) | PDK2BCAT2PARP1ALDH1A1IKBKB | |
| SCHEMBL18163775 | 0.72 | ALDH1A1 (0.45) | PDK2PARP1ALDH1A1AURKARPS6KB1 | |
| SCHEMBL16684995 | 0.71 | BTK (0.53) | BTKBRD4PDK2BCAT2GRK6 | |
| SCHEMBL2745941 | 0.71 | CYP1A2 (0.41) | ALDH1A1KDM4EGAANPC1RAB9A | |
| SCHEMBL3379668 | 0.70 | KMT2A (0.49) | PARP1ALDH1A1AURKARPS6KB1MAP2K2 | |
| SCHEMBL17529586 | 0.70 | PARP1 (0.42) | PDK2PARP1ALDH1A1AURKARPS6KB1 | |
| SCHEMBL6468576 | 0.70 | PLA2G2A (0.53) | BTKBRD4BCAT2ALDH1A1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1429765-A2 | INHIBITORS OF HISTONE DEACETYLASE | Methylgene, Inc. (CA) | 2004-06-23 | — | — | EP | disclosed |
| WO-2003024448-A2 | INHIBITORS OF HISTONE DEACETYLASE | METHYLGENE, INC. (CA) | 2003-03-27 | — | — | WO | disclosed |