Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 4/20 | 0.36 |
| ▸ | MAPK13 | O15264 | 3/20 | 0.36 |
| ▸ | MAPK12 | P53778 | 3/20 | 0.36 |
| ▸ | MAPK11 | Q15759 | 3/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
| ▸ | NPEPPS | P55786 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL1699212 | 0.80 | MAP3K11 (0.40) | HSP90AA1GAAKDM4EALDH1A1HPGD | |
| SCHEMBL10790345 | 0.66 | BRD4 (0.56) | HSP90AA1BRD4GAAKDM4EPOLB | |
| SCHEMBL9120324 | 0.66 | AURKA (0.58) | HSP90AA1BRD4GAAKDM4EPOLB | |
| SCHEMBL1699349 | 0.64 | MAP3K11 (0.38) | GAAKDM4EALDH1A1HPGDDAO | |
| SCHEMBL1699264 | 0.64 | MAP3K11 (0.40) | GAAMAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL1699169 | 0.61 | MAP3K11 (0.39) | GAAMAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL9119078 | 0.61 | HSP90AA1 (0.72) | HSP90AA1BRD4GAAKDM4EPOLB | |
| SCHEMBL10027225 | 0.61 | LMNA (0.43) | GAAKDM4EPOLBALDH1A1HPGD | |
| SCHEMBL8544900 | 0.59 | POLB (0.65) | BRD4GAAKDM4EPOLBALDH1A1 | |
| SCHEMBL15385957 | 0.58 | MAP3K11 (0.41) | GAAMAPK13MAPK12MAPK11MAPK14 |
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-2011163355-A1 | FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-12-29 | — | — | WO | disclosed |