Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.55 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 3/20 | 0.41 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.40 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.40 |
| ▸ | MAP3K8 | P41279 | 2/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.40 |
| ▸ | PORCN | Q9H237 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4581112 | 0.87 | CYP2A6 (0.54) | CYP2A6CYP2D6CYP2C19CYP2C9CYP2E1 | |
| SCHEMBL14155934 | 0.75 | CYP2A6 (0.48) | CYP2A6MKNK1MKNK2HDAC1ABCB1 | |
| SCHEMBL3611935 | 0.74 | CYP2A6 (1.00) | CYP2A6TRPV1CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL4581158 | 0.72 | CYP2E1 (0.54) | CYP2A6CYP2C19CYP2C9CYP2E1CYP2B6 | |
| SCHEMBL4580212 | 0.72 | ABCB1 (0.43) | MKNK1MKNK2HDAC3HDAC1HDAC2 | |
| SCHEMBL4581124 | 0.69 | CYP2A6 (0.56) | CYP2A6TRPV1CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL29064834 | 0.69 | MKNK2 (0.47) | MKNK1MKNK2PORCNHDAC3HDAC1 | |
| SCHEMBL4578062 | 0.68 | ABCB1 (0.39) | CYP2A6HDAC3HDAC1HDAC2ABCB1 | |
| SCHEMBL4578067 | 0.68 | ABCB1 (0.39) | CYP2A6HDAC3HDAC1HDAC2ABCB1 | |
| SCHEMBL2465121 | 0.66 | ABCB1 (0.57) | MKNK1MKNK2HDAC3HDAC1HDAC2 |
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-2007720-A1 | BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE | Methylgene, Inc. (CA) | 2008-12-31 | — | — | EP | disclosed |
| WO-2007118137-A1 | BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE | METHYLGENE INC. (CA) | 2007-10-18 | — | — | WO | disclosed |