Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 8/20 | 0.38 |
| ▸ | PDE4A | P27815 | 3/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 3/20 | 0.36 |
| ▸ | PDE11A | Q9HCR9 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | AURKA | O14965 | 2/20 | 0.33 |
| ▸ | KDR | P35968 | 2/20 | 0.33 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TKT | P29401 | 1/20 | 0.33 |
| ▸ | FOS | P01100 | 2/20 | 0.32 |
| ▸ | JUN | P05412 | 2/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.32 |
| ▸ | RELA | Q04206 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5736850 | 0.79 | PDE4B (0.40) | PDE4BPDE4APDE4CPDE4DPDE3B | |
| SCHEMBL5736940 | 0.79 | PDE4B (0.41) | PDE4BPDE4APDE4CPDE4DPDE3B | |
| SCHEMBL2352572 | 0.78 | FOS (0.36) | PDE4BPDE4APDE4CPDE4DPDE3B | |
| SCHEMBL19302652 | 0.75 | SORT1 (0.35) | KDM4EALDH1A1TKTFOSJUN | |
| SCHEMBL24975433 | 0.74 | HTT (0.51) | SMN1; SMN2L3MBTL1 | |
| SCHEMBL31292125 | 0.74 | KDM4E (0.42) | PDE4BTSHRSMN1; SMN2KDM4EL3MBTL1 | |
| Ammonia Solution, Strong SCHEMBL17353626 | 0.74 | SORT1 (0.35) | ALDH1A1TKTFOSJUNNFKB1 | |
| SCHEMBL25164042 | 0.73 | HPGD (0.36) | PDE4BPDE4APDE4CPDE4DPDE3B | |
| SCHEMBL24975430 | 0.73 | MKNK2 (0.40) | TKT | |
| SCHEMBL31292151 | 0.73 | KDM4E (0.38) | PDE4BPDE4APDE4CPDE4DPDE3B |
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 |
|---|---|---|---|---|---|---|---|
| CN-104254525-B | aromatic ring compound | TAKEDA PHARMACEUTICAL CO.,LTD. (JP) | 2016-05-25 | — | — | CN | disclosed |