Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 6/20 | 0.67 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.67 |
| ▸ | PDE4A | P27815 | 6/20 | 0.55 |
| ▸ | PDE4B | Q07343 | 6/20 | 0.55 |
| ▸ | PDE4C | Q08493 | 6/20 | 0.55 |
| ▸ | PDE4D | Q08499 | 6/20 | 0.55 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.55 |
| ▸ | CFTR | P13569 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.48 |
| ▸ | UBE2N | P61088 | 1/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.47 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.47 |
| ▸ | ALPL | P05186 | 1/20 | 0.47 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7453870 | 0.81 | ADORA2B (1.00) | ADORA2BADORA3PDE4APDE4BPDE4C | |
| SCHEMBL18990418 | 0.81 | ADORA2B (0.72) | ADORA2BADORA3PDE4APDE4BPDE4C | |
| SCHEMBL3241382 | 0.80 | PDE4A (0.71) | ADORA2BADORA3PDE4APDE4BPDE4C | |
| Hydrochloric Acid SCHEMBL8656191 | 0.80 | ADORA2B (0.97) | ADORA2BADORA3PDE4APDE4BPDE4C | |
| SCHEMBL28324505 | 0.79 | ADORA2B (0.73) | ADORA2BADORA3PDE4APDE4BPDE4C | |
| SCHEMBL7017662 | 0.79 | MAPK1 (0.56) | ADORA2BPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL7018390 | 0.78 | LMNA (0.69) | ADORA2BUBE2NHIF1A | |
| SCHEMBL7606755 | 0.78 | ADORA2B (0.58) | ADORA2BADORA3PDE4APDE4BPDE4C | |
| SCHEMBL7608445 | 0.77 | PDE4A (0.60) | ADORA2BADORA3PDE4APDE4BPDE4C | |
| Hydrochloric Acid SCHEMBL8649630 | 0.76 | ADORA2A (0.51) | ADORA2BADORA3PDE4APDE4BPDE4C |
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 |
|---|---|---|---|---|---|---|---|
| US-5753664-A | ANTITUMOR AGENTS, PYRIMIDONES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-05-19 | — | — | US | disclosed |