Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 5/20 | 0.40 |
| ▸ | CDK2 | P24941 | 5/20 | 0.40 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.40 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HINT1 | P49773 | 1/20 | 0.33 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.32 |
| ▸ | PRKACA | P17612 | 1/20 | 0.31 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.31 |
| ▸ | PRKACG | P22612 | 1/20 | 0.31 |
| ▸ | PRKACB | P22694 | 1/20 | 0.31 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.31 |
| ▸ | CDC20 | Q12834 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9583170 | 0.80 | CDK1 (0.47) | CDK1CDK2CCNB1CCNE1HDAC1 | |
| SCHEMBL9583081 | 0.78 | CDK1 (0.44) | CDK1CDK2CCNB1CCNE1HDAC1 | |
| SCHEMBL10814547 | 0.76 | CDK1 (0.43) | CDK1CDK2CCNB1CCNE1HDAC1 | |
| SCHEMBL10818088 | 0.75 | CDC20 (0.35) | CDK1CDK2CCNB1CCNE1HDAC1 | |
| SCHEMBL9584502 | 0.75 | CDK1 (0.49) | CDK1CDK2CCNB1CCNE1HDAC1 | |
| SCHEMBL10818029 | 0.74 | HDAC1 (0.42) | CDK1CDK2HDAC1HDAC2HDAC8 | |
| SCHEMBL10817413 | 0.74 | CDK1 (0.36) | CDK1CDK2HDAC1HDAC2HDAC8 | |
| SCHEMBL10814393 | 0.73 | HK1 (0.39) | CDK1CDK2CCNB1CCNE1HDAC1 | |
| SCHEMBL10817431 | 0.72 | ADA (0.47) | — | |
| SCHEMBL10813829 | 0.72 | ADORA2A (0.45) | — |
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 4 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 | disclosed |
| US-4609661-A | HERPES VIRUS | SYNTEX (U.S.A.) INC. (US) | 1986-09-02 | — | — | US | disclosed |
| US-4556659-A | Substituted 9-(1-0- or 3-0-monosubstituted or 1,3-Di-0-substituted propoxymethyl)-purines as antiviral agents | SYNTEX (U.S.A.) INC. (US) | 1985-12-03 | — | — | US | disclosed |
| 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 | disclosed |