Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | AKT1 | P31749 | 1/20 | 0.37 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.36 |
| ▸ | ATR | Q13535 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 2/20 | 0.35 |
| ▸ | NAMPT | P43490 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 2/20 | 0.35 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | SUV39H2 | Q9H5I1 | 1/20 | 0.34 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.34 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.34 |
| ▸ | STK17B | O94768 | 1/20 | 0.34 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8236809 | 0.81 | ALDH1A1 (0.44) | ALDH1A1GAAKDM4ECYP17A1ATR | |
| SCHEMBL1022260 | 0.74 | GLS (0.42) | GAAAKT1CYP17A1NAMPT | |
| SCHEMBL29988292 | 0.74 | GLS (0.42) | GAAAKT1CYP17A1NAMPT | |
| SCHEMBL925018 | 0.74 | NAMPT (0.48) | CYP17A1MAPKAPK2NAMPT | |
| SCHEMBL2844180 | 0.74 | MTNR1A (0.34) | ALDH1A1GAAKDM4ECTSLDRD2 | |
| SCHEMBL3342811 | 0.72 | PDE4A (0.45) | ALDH1A1GAAKDM4ECTSLAAK1 | |
| SCHEMBL4053414 | 0.70 | ATR (0.40) | GAAAKT1CYP17A1ATRMAPKAPK2 | |
| SCHEMBL27164185 | 0.70 | CYP17A1 (0.36) | ALDH1A1KDM4EAKT1CYP17A1ATR | |
| SCHEMBL19878442 | 0.69 | ALDH1A1 (0.37) | ALDH1A1GAAKDM4EATRCTSL | |
| SCHEMBL7418181 | 0.69 | ATR (0.47) | ALDH1A1GAAKDM4ECYP17A1ATR |
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-2168959-A1 | PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT | Kyorin Pharmaceutical Co., Ltd. (JP) | 2010-03-31 | — | — | EP | disclosed |