Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 14/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 7/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 7/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.49 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.49 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.49 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.49 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | MEF2D | Q14814 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | CCNC | P24863 | 1/20 | 0.38 |
| ▸ | CDK8 | P49336 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1966895 | 1.00 | HDAC1 (0.49) | HDAC1HDAC3HDAC2CYP1A2CYP3A4 | |
| SCHEMBL10039310 | 1.00 | HDAC1 (0.49) | HDAC1HDAC3HDAC2CYP1A2CYP3A4 | |
| SCHEMBL10039309 | 0.94 | HDAC1 (0.44) | HDAC1HDAC3HDAC2CYP1A2CYP3A4 | |
| SCHEMBL13458756 | 0.94 | HDAC1 (0.45) | HDAC1HDAC3HDAC2CYP1A2CYP3A4 | |
| SCHEMBL10039313 | 0.93 | HDAC1 (0.47) | HDAC1HDAC3HDAC2CYP1A2CYP3A4 | |
| SCHEMBL10069093 | 0.93 | HDAC1 (0.44) | HDAC1HDAC3HDAC2CYP1A2CYP3A4 | |
| SCHEMBL10039334 | 0.92 | HDAC1 (0.49) | HDAC1HDAC3HDAC2CYP1A2CYP3A4 | |
| SCHEMBL13458758 | 0.92 | HDAC1 (0.49) | HDAC1HDAC3HDAC2CYP1A2CYP3A4 | |
| SCHEMBL10039312 | 0.92 | HDAC1 (0.44) | HDAC1HDAC3HDAC2CYP1A2CYP3A4 | |
| SCHEMBL10069248 | 0.91 | HDAC1 (0.56) | HDAC1HDAC3HDAC2CYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010031708-A2 | NOVEL ORTHO-AMINOANILIDES FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2010-03-25 | — | — | WO | disclosed |