Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 7/20 | 0.65 |
| ▸ | GBA1 | P04062 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.46 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.46 |
| ▸ | KMO | O15229 | 1/20 | 0.44 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.43 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.43 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.42 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.40 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.40 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.39 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.39 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | BCR | P11274 | 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 | |
|---|---|---|---|---|
| SCHEMBL446862 | 0.90 | HDAC8 (0.79) | HDAC8GBA1HDAC6HDAC1HDAC7 | |
| SCHEMBL464363 | 0.79 | HDAC8 (1.00) | HDAC8HDAC6HDAC1HDAC7HDAC9 | |
| SCHEMBL464378 | 0.78 | HDAC8 (0.79) | HDAC8HDAC6HDAC1HDAC7HDAC9 | |
| SCHEMBL31346183 | 0.67 | KMO (0.56) | KMOMKNK1MKNK2IP6K1IP6K3 | |
| SCHEMBL5278014 | 0.66 | TDP1 (0.48) | HDAC8ROCK2 | |
| SCHEMBL27927241 | 0.64 | TDP1 (0.55) | ROCK2 | |
| SCHEMBL20565074 | 0.64 | ENPP2 (0.54) | HDAC6HDAC1ENPP2 | |
| SCHEMBL29771624 | 0.64 | ENPP2 (0.54) | HDAC6HDAC1ENPP2 | |
| SCHEMBL13015042 | 0.64 | CYP1A2 (0.61) | HDAC1MKNK1MKNK2ROCK2 | |
| SCHEMBL206541 | 0.64 | KMO (1.00) | KMOMKNK1MKNK2IP6K1IP6K3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2613775-B1 | N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER | HOFFMANN LA ROCHE (CH) | 2014-07-30 | — | — | EP | disclosed |
| EP-2613775-A1 | NOVEL N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER | F.HOFFMANN-LA ROCHE AG (CH) | 2013-07-17 | — | — | EP | disclosed |
| WO-2012031993-A1 | NOVEL N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2012-03-15 | — | — | WO | disclosed |