Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 13/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 11/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 2/20 | 0.33 |
| ▸ | ATAD2 | Q6PL18 | 2/20 | 0.33 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11301418 | 0.87 | SLC6A4 (0.39) | SLC6A4SLC6A2SLC6A3KCNH2KDM4E | |
| SCHEMBL11301394 | 0.80 | SLC6A2 (0.40) | SLC6A4SLC6A2SLC6A3KCNH2KDM4E | |
| SCHEMBL11296509 | 0.79 | KDR (0.43) | SLC6A4SLC6A2SLC6A3KCNH2KDM4E | |
| SCHEMBL11299107 | 0.75 | HTT (0.40) | SLC6A4SLC6A2SLC6A3KCNH2KDM4E | |
| SCHEMBL11294789 | 0.75 | BRD4 (0.50) | SLC6A4SLC6A2BRD4ATAD2 | |
| SCHEMBL11304997 | 0.72 | HDAC6 (0.33) | SLC6A4SLC6A2SLC6A3KCNH2KDM4E | |
| SCHEMBL28363673 | 0.72 | NOTUM (0.43) | SLC6A4SLC6A2SLC6A3KCNH2KDM4E | |
| SCHEMBL18361035 | 0.67 | NOTUM (0.46) | KDM4EMEN1GAAMAPTMAPK1 | |
| SCHEMBL9293777 | 0.65 | CHEK1 (0.54) | SLC6A4SLC6A2SLC6A3KDM4EGAA | |
| SCHEMBL4247136 | 0.64 | CCR5 (0.51) | SLC6A4SLC6A2SLC6A3KDM4EMAPT |
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-2665706-A1 | NOVEL 4-AMINO-N-HYDROXY-BENZAMIDES AS HDAC INHIBITORS FOR THE TREATMENT OF CANCER | F.HOFFMANN-LA ROCHE AG (CH) | 2013-11-27 | — | — | EP | disclosed |
| WO-2012098132-A1 | NOVEL 4-AMINO-N-HYDROXY-BENZAMIDES AS HDAC INHIBITORS FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2012-07-26 | — | — | WO | disclosed |