Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 2/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.38 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | BTK | Q06187 | 3/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | LCK | P06239 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | JAK3 | P52333 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL171973 | 0.80 | BTK (0.52) | ALDH1A1KDM4EBTKNPC1RAB9A | |
| SCHEMBL13894049 | 0.70 | BTK (0.43) | HDAC3HDAC1MAOBMAPTALDH1A1 | |
| SCHEMBL108970 | 0.69 | BTK (0.59) | MAOBMAPTALDH1A1KDM4ECYP1A2 | |
| SCHEMBL1995821 | 0.64 | MAOB (0.59) | HDAC3HDAC1MAOBCHRNA7 | |
| SCHEMBL30547775 | 0.64 | MAOB (0.59) | HDAC3HDAC1MAOBCHRNA7 | |
| SCHEMBL8775403 | 0.63 | MAOB (0.69) | HDAC3HDAC1MAOBMAPTKDM4E | |
| SCHEMBL16131037 | 0.63 | MAOB (0.60) | HDAC3HDAC1MAOBCHRNA7 | |
| SCHEMBL8569571 | 0.63 | MAOB (0.60) | HDAC3HDAC1MAOBCYP3A4HPGD | |
| SCHEMBL8769745 | 0.63 | MAOB (0.72) | HDAC3HDAC1MAOBMAPTKDM4E | |
| SCHEMBL1663116 | 0.63 | MAOB (0.72) | MAOBMAPK14MAPK11MAPTKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-2426109-A1 | NOVEL KINASE INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2012-03-07 | — | — | EP | disclosed |