Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADA | P00813 | 5/20 | 0.39 |
| ▸ | PDE2A | O00408 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CDK1 | P06493 | 2/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | CCNA2 | P20248 | 5/20 | 0.38 |
| ▸ | CDK2 | P24941 | 5/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30331956 | 0.84 | ADORA2A (0.50) | CDK1LMNACCNA2CDK2CCNA1 | |
| SCHEMBL946328 | 0.84 | ADORA2A (0.50) | CDK1LMNACCNA2CDK2CCNA1 | |
| SCHEMBL29782935 | 0.81 | ADA (0.38) | ADAPDE2ACYP3A4PDE4APDE4B | |
| SCHEMBL24476401 | 0.80 | P2RX7 (0.41) | ADAPDE2ACYP3A4CDK1PDE4A | |
| SCHEMBL24476294 | 0.80 | P2RX7 (0.41) | ADAPDE2ACYP3A4CDK1PDE4A | |
| SCHEMBL29782919 | 0.78 | LMNA (0.38) | CDK1KDM4ELMNACCNA2CDK2 | |
| SCHEMBL946796 | 0.78 | CDK1 (0.41) | PDE2ACDK1PDE4DLMNACCNA2 | |
| SCHEMBL539356 | 0.78 | CDK2 (0.56) | CDK1KDM4ECCNA2CDK2CCNA1 | |
| SCHEMBL29426182 | 0.78 | CDK2 (0.56) | CDK1KDM4ECCNA2CDK2CCNA1 | |
| SCHEMBL24476397 | 0.78 | ALDH1A1 (0.37) | ADAPDE2ACYP3A4PDE4APDE4B |
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-3000813-A1 | PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES | GlaxoSmithKline LLC (US) | 2016-03-30 | — | — | EP | disclosed |