Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K11 | Q16584 | 6/20 | 0.40 |
| ▸ | ESR1 | P03372 | 3/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.35 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.34 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 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 | |
|---|---|---|---|---|
| SCHEMBL1699264 | 0.84 | MAP3K11 (0.40) | MAP3K11ESR1ESR2KDM4EGAA | |
| SCHEMBL1699349 | 0.83 | MAP3K11 (0.38) | MAP3K11ESR1ESR2KDM4EGAA | |
| SCHEMBL1699242 | 0.82 | L3MBTL1 (0.56) | KDM4EGAAALDH1A1CSNK2A1TSHR | |
| SCHEMBL1699077 | 0.82 | MAP3K11 (0.39) | MAP3K11ESR1ESR2KDM4EGAA | |
| SCHEMBL1699291 | 0.80 | HSP90AA1 (0.40) | KDM4EGAAHSD17B10ALDH1A1HPGD | |
| SCHEMBL1699169 | 0.80 | MAP3K11 (0.39) | MAP3K11ESR1ESR2KDM4EGAA | |
| SCHEMBL15385957 | 0.76 | MAP3K11 (0.41) | MAP3K11ESR1ESR2KDM4EGAA | |
| SCHEMBL1699098 | 0.73 | DRD1 (0.44) | MEN1KMT2ALMNA | |
| SCHEMBL1699258 | 0.67 | L3MBTL1 (0.55) | ALDH1A1CSNK2A1LMNATSHR | |
| SCHEMBL1699284 | 0.67 | MAP3K11 (0.39) | MAP3K11ESR1ESR2MEN1KMT2A |
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 |