Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.42 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.42 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.42 |
| ▸ | PIM1 | P11309 | 1/20 | 0.42 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.42 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.42 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.42 |
| ▸ | BRSK1 | Q8TDC3 | 1/20 | 0.42 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.42 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.42 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.42 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.42 |
| ▸ | MAP4K5 | Q9Y4K4 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 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 | |
|---|---|---|---|---|
| SCHEMBL11299470 | 0.80 | PARP1 (0.33) | MAP4K4PIM1MKNK2ALDH1A1 | |
| SCHEMBL11301756 | 0.68 | PARP1 (0.39) | ALDH1A1LMNAMTNR1AMTNR1B | |
| SCHEMBL11297424 | 0.67 | HDAC1 (0.43) | ALDH1A1MTNR1AMTNR1BHDAC6 | |
| SCHEMBL11297369 | 0.66 | HDAC6 (0.40) | KDM4EALDH1A1LMNAHDAC6 | |
| SCHEMBL3652803 | 0.65 | ESR1 (0.61) | RPS6KB1DYRK3MAP4K4PIM1CSNK2A1 | |
| SCHEMBL11301404 | 0.64 | HDAC8 (0.47) | KDM4EALDH1A1HDAC6 | |
| SCHEMBL1427799 | 0.63 | CHRNB2 (0.65) | CHRNB2CHRNA4KDM4EALDH1A1LMNA | |
| SCHEMBL30343857 | 0.62 | KDM4E (0.52) | RPS6KB1DYRK3MAP4K4PIM1CSNK2A1 | |
| SCHEMBL11299090 | 0.61 | HDAC6 (0.34) | KDM4EALDH1A1HDAC6 | |
| SCHEMBL1957431 | 0.61 | CHRNB2 (1.00) | CHRNB2CHRNA4KDM4EALDH1A1LMNA |
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 |