Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.45 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.45 |
| ▸ | PI4KA | P42356 | 1/20 | 0.45 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.45 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.45 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.45 |
| ▸ | ADCY5 | O95622 | 1/20 | 0.43 |
| ▸ | AHCY | P23526 | 4/20 | 0.43 |
| ▸ | ADA | P00813 | 4/20 | 0.42 |
| ▸ | PDE2A | O00408 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | PDE4A | P27815 | 1/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.42 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10817431 | 0.90 | ADA (0.47) | ADORA2AADORA2BADORA1PI4KAPI4K2B | |
| SCHEMBL10818132 | 0.88 | ADORA2A (0.48) | ADORA2AADORA2BADORA1PI4KAPI4K2B | |
| SCHEMBL9583879 | 0.85 | ADORA2A (0.48) | ADORA2AADORA2BADORA1PI4KAPI4K2B | |
| SCHEMBL9583596 | 0.78 | ADA (0.41) | ADORA2AADORA2BADORA1AHCYADA | |
| SCHEMBL10817902 | 0.78 | KDM4E (0.42) | KDM4EALDH1A1HSD17B10 | |
| SCHEMBL10814378 | 0.77 | CCNB2 (0.43) | ADORA1ADAPDE2ACYP3A4PDE4A | |
| SCHEMBL10816711 | 0.74 | CYP1A2 (0.37) | ADAPDE2ACYP3A4PDE4APDE4B | |
| SCHEMBL10816337 | 0.74 | CYP1A2 (0.43) | ADAPDE2ACYP3A4PDE4APDE4B | |
| SCHEMBL9583170 | 0.72 | CDK1 (0.47) | KDM4EALDH1A1HSD17B10 | |
| SCHEMBL10818088 | 0.72 | CDC20 (0.35) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0105135-B1 | SUBSTITUTED 9-(1-0- OR 3-0-MONOSUBSTITUTED OR 1,3-DI-0-SUBSTITUTED 1,3 DIHYDROXY-2-PROPOXYMETHYL) PURINES AS ANTIVIRAL AGENTS | SYNTEX (U.S.A.) INC. (US) | 1987-03-18 | — | — | EP | claimed |
| EP-0105135-A1 | Substituted 9-(1-0- or 3-0-monosubstituted or 1,3-di-0-substituted 1,3 dihydroxy-2-propoxymethyl) purines as antiviral agents | SYNTEX (U.S.A.) INC. (US) | 1984-04-11 | — | — | EP | claimed |