Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 2/20 | 0.53 |
| ▸ | PDE8B | O95263 | 6/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.45 |
| ▸ | PI4KA | P42356 | 3/20 | 0.41 |
| ▸ | PI4K2B | Q8TCG2 | 3/20 | 0.41 |
| ▸ | PI4K2A | Q9BTU6 | 3/20 | 0.41 |
| ▸ | PI4KB | Q9UBF8 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | THPO | P40225 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3089517 | 0.98 | CDK1 (0.54) | CDK1PDE8BADORA2AADORA1PI4KA | |
| SCHEMBL7738505 | 0.80 | CDK1 (0.60) | CDK1PDE8BADORA2AADORA1PI4KA | |
| SCHEMBL28126184 | 0.77 | PDE8B (0.35) | PDE8B | |
| SCHEMBL7438827 | 0.75 | PI4KA (0.52) | PDE8BADORA2API4KAPI4K2BPI4K2A | |
| SCHEMBL232039 | 0.74 | ADORA2A (0.55) | CDK1PDE8BADORA2AADORA1PI4KA | |
| SCHEMBL9233825 | 0.74 | CDK1 (0.47) | CDK1ADORA2AADORA1 | |
| SCHEMBL6270235 | 0.74 | CDK1 (0.47) | CDK1ADORA2AADORA1 | |
| SCHEMBL15354448 | 0.73 | CDK2 (0.63) | CDK1PDE8BADORA2AADORA1PI4KA | |
| SCHEMBL15354446 | 0.73 | CDK1 (0.63) | CDK1PDE8BADORA2AADORA1PI4KA | |
| SCHEMBL9482601 | 0.73 | PDE8B (0.45) | PDE8B |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106456580-A | Heterocyclic hydroxamic acids as protein deacetylase inhibitors and dual protein deacetylase-protein kinase inhibitors and methods of use thereof | 科罗拉多州立大学董事会法人团体 | 2017-02-22 | — | — | CN | disclosed |
| EP-0778836-B1 | SUBSTITUTED 9-ALKYLADENINES | ADERIS PHARMACEUTICALS INC (US) | 2005-12-28 | — | — | EP | disclosed |
| EP-1602657-A2 | Substituted 9-alkyladenines | Discovery Therapeutics, Inc. (US) | 2005-12-07 | — | — | EP | disclosed |
| EP-0778836-A4 | SUBSTITUTED 9-ALKYLADENINES | DISCOVERY THERAPEUTICS INC (US) | 1998-02-04 | — | — | EP | disclosed |
| EP-0778836-A1 | SUBSTITUTED 9-ALKYLADENINES | Discovery Therapeutics, Inc. (US) | 1997-06-18 | — | — | EP | disclosed |
| WO-1996006845-A1 | SUBSTITUTED 9-ALKYLADENINES | DISCOVERY THERAPEUTICS, INC. (US) | 1996-03-07 | — | — | WO | disclosed |