Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 4/20 | 0.61 |
| ▸ | CYP2E1 | P05181 | 10/20 | 0.55 |
| ▸ | CYP2C8 | P10632 | 10/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 10/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 10/20 | 0.55 |
| ▸ | CYP2B6 | P20813 | 10/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 10/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 9/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1065501 | 0.82 | HDAC1 (0.87) | HDAC1CYP2E1CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL1066309 | 0.82 | HDAC1 (0.69) | HDAC1CYP2E1CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL1063187 | 0.80 | CYP2E1 (0.68) | HDAC1CYP2E1CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL211177 | 0.80 | HDAC1 (0.71) | HDAC1CYP2E1CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL1065421 | 0.79 | CYP2E1 (0.83) | HDAC1CYP2E1CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL15693611 | 0.77 | RAB9A (0.76) | CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL209292 | 0.74 | HDAC1 (0.63) | HDAC1CYP2E1CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL8347912 | 0.74 | HDAC1 (0.62) | HDAC1CYP2E1CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL12195173 | 0.73 | CYP2E1 (0.82) | CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL2733630 | 0.73 | HDAC1 (0.82) | HDAC1CYP2E1CYP2C8CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-7595343-B2 | Inhibitors of histone deacetylase | METHYLGENE, INC. (CA) | 2009-09-29 | — | — | US | disclosed |