Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10814393 | 0.88 | HK1 (0.39) | ALDH1A1 | |
| SCHEMBL10816337 | 0.85 | CYP1A2 (0.43) | ALDH1A1CYP1A2TSHR | |
| SCHEMBL10815175 | 0.79 | PDE3A (0.35) | ALDH1A1CYP1A2TSHR | |
| SCHEMBL10813165 | 0.77 | PDE3A (0.41) | ALDH1A1CYP1A2TSHR | |
| SCHEMBL10540197 | 0.72 | CDK2 (0.36) | CYP1A2TSHR | |
| SCHEMBL10817431 | 0.71 | ADA (0.47) | ALDH1A1CYP1A2TSHR | |
| SCHEMBL9584672 | 0.70 | ALDH1A1 (0.38) | ALDH1A1CYP1A2TSHR | |
| SCHEMBL10815977 | 0.69 | CDK5 (0.35) | — | |
| SCHEMBL10818088 | 0.69 | CDC20 (0.35) | — | |
| SCHEMBL9583624 | 0.68 | CYP1A2 (0.40) | CYP1A2TSHR |
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 |