Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | ADA | P00813 | 4/20 | 0.36 |
| ▸ | PDE2A | O00408 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10816337 | 0.85 | CYP1A2 (0.43) | CYP1A2CYP2D6ADAPDE2ACYP3A4 | |
| SCHEMBL10814378 | 0.84 | CCNB2 (0.43) | CYP1A2ADAPDE2ACYP3A4PDE4A | |
| SCHEMBL10817431 | 0.82 | ADA (0.47) | CYP1A2ADAPDE2ACYP3A4PDE4A | |
| SCHEMBL10815169 | 0.79 | ALDH1A1 (0.31) | CYP1A2ALDH1A1TSHR | |
| SCHEMBL10816715 | 0.77 | CYP2D6 (0.45) | CYP1A2CYP2D6MAPK1CYP3A4 | |
| SCHEMBL10814393 | 0.75 | HK1 (0.39) | CYP2D6CYP3A4ALDH1A1CDK1CCNB1 | |
| SCHEMBL10813829 | 0.74 | ADORA2A (0.45) | CYP1A2ADAPDE2ACYP3A4PDE4A | |
| SCHEMBL10813330 | 0.72 | CYP1A2 (0.36) | CYP1A2CYP2D6MAPK1CYP3A4ALDH1A1 | |
| SCHEMBL10815977 | 0.69 | CDK5 (0.35) | — | |
| SCHEMBL10818088 | 0.68 | CDC20 (0.35) | MAPK1CDK1CCNB1 |
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 |