Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 9/20 | 0.52 |
| ▸ | PDE4A | P27815 | 9/20 | 0.52 |
| ▸ | PDE4B | Q07343 | 9/20 | 0.52 |
| ▸ | PDE4C | Q08493 | 9/20 | 0.52 |
| ▸ | PDE4D | Q08499 | 9/20 | 0.52 |
| ▸ | ADORA2B | P29275 | 5/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | BLM | P54132 | 1/20 | 0.52 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | TNF | P01375 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | PDE1A | P54750 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9031302 | 0.91 | ADORA2A (0.54) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL9032358 | 0.90 | ADORA2A (0.56) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL9031011 | 0.89 | ADORA2A (0.52) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL9031860 | 0.88 | ADORA2A (0.49) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL9031357 | 0.87 | PDE4A (0.53) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL9031411 | 0.87 | PDE4A (0.50) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL9031456 | 0.87 | ADORA2A (0.50) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL9032303 | 0.86 | ADORA2A (0.54) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL9030675 | 0.85 | ADORA2A (0.48) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL9031868 | 0.84 | PDE4A (0.49) | ADORA2APDE4APDE4BPDE4CPDE4D |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0417790-B1 | S-triazolo[3,4-i]purine derivatives | KYOWA HAKKO KOGYO KK (JP) | 1996-12-04 | — | — | EP | disclosed |
| US-5173492-A | Bronchodilator agents | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1992-12-22 | — | — | US | disclosed |
| EP-0417790-A2 | S-triazolo[3,4-i]purine derivatives | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1991-03-20 | — | — | EP | disclosed |