Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 8/20 | 0.67 |
| ▸ | PDE4A | P27815 | 13/20 | 0.67 |
| ▸ | PDE4B | Q07343 | 12/20 | 0.67 |
| ▸ | PDE4C | Q08493 | 12/20 | 0.67 |
| ▸ | PDE4D | Q08499 | 12/20 | 0.67 |
| ▸ | ADORA2B | P29275 | 5/20 | 0.67 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | BLM | P54132 | 2/20 | 0.54 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | ESR1 | P03372 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.52 |
| ▸ | ACHE | P22303 | 1/20 | 0.52 |
| ▸ | CNOT7 | Q9UIV1 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL21381252 | 0.90 | ADORA2A (0.82) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL8912388 | 0.86 | PDE4A (0.74) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL8912384 | 0.85 | PDE4A (0.65) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL10817646 | 0.84 | PDE4A (0.73) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL11456819 | 0.83 | PDE4A (0.77) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL11466640 | 0.83 | PDE4A (0.65) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL27515234 | 0.83 | ADORA2A (0.66) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL27481612 | 0.82 | PDE4A (0.68) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL11395350 | 0.82 | PDE4A (0.76) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL10873386 | 0.82 | PDE4A (0.77) | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0712402-A1 | HYDROISOQUINOLINE DERIVATIVES | Smithkline Beecham S.p.A. (IT) | 1996-05-22 | — | — | EP | disclosed |
| EP-0393574-B1 | Hexitol derivatives | KYOWA HAKKO KOGYO KK (JP) | 1996-01-31 | — | — | EP | disclosed |
| WO-1995004734-A1 | HYDROISOQUINOLINE DERIVATIVES | SMITHKLINE BEECHAM FARMACEUTICI S.P.A. (IT) | 1995-02-16 | — | — | WO | disclosed |
| US-5053408-A | Cardiovascular disorders | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1991-10-01 | — | — | US | disclosed |
| EP-0393574-A2 | Hexitol derivatives | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1990-10-24 | — | — | EP | disclosed |