Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | KCNK3 | O14649 | 2/20 | 0.33 |
| ▸ | ALK | Q9UM73 | 2/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.31 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.31 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.31 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.31 |
| ▸ | ITGAL | P20701 | 1/20 | 0.31 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.31 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.31 |
| ▸ | KDM1A | O60341 | 2/20 | 0.31 |
| ▸ | CCR1 | P32246 | 1/20 | 0.30 |
| ▸ | UGCG | Q16739 | 1/20 | 0.30 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4718895 | 0.91 | CYP3A4 (0.32) | — | |
| SCHEMBL4724276 | 0.90 | ITGB2 (0.35) | PDE4APDE4BPDE4CPDE4DKCNK3 | |
| SCHEMBL4724274 | 0.90 | ITGB2 (0.35) | PDE4APDE4BPDE4CPDE4DKCNK3 | |
| SCHEMBL4723157 | 0.90 | F10 (0.32) | CCR1CXCR3LGALS3 | |
| SCHEMBL4722298 | 0.89 | PDE4A (0.35) | PDE4APDE4BPDE4CPDE4DKCNK3 | |
| SCHEMBL4719683 | 0.88 | SMN1; SMN2 (0.34) | PDE4APDE4BPDE4CPDE4DKCNK3 | |
| SCHEMBL4766343 | 0.87 | F10 (0.31) | CXCR3 | |
| SCHEMBL4722273 | 0.87 | SMPD3 (0.45) | ITGB2ICAM1ITGAL | |
| SCHEMBL4722270 | 0.87 | SMPD3 (0.45) | ITGB2ICAM1ITGAL | |
| SCHEMBL4724909 | 0.86 | PDE4A (0.32) | PDE4APDE4BPDE4CPDE4DUGCG |
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-1953147-A1 | HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF | Japan Tobacco, Inc. (JP) | 2008-08-06 | — | — | EP | disclosed |