Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CDK1 | P06493 | 5/20 | 0.31 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.31 |
| ▸ | GSK3A | P49840 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
| ▸ | CDK2 | P24941 | 3/20 | 0.31 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.31 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | MERTK | Q12866 | 1/20 | 0.30 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.30 |
| ▸ | CLK2 | P49760 | 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 | |
|---|---|---|---|---|
| SCHEMBL10815136 | 0.76 | CYP1A2 (0.36) | CYP1A2CLK4ALDH1A1TSHRKDM4E | |
| SCHEMBL10818085 | 0.73 | CDK1 (0.40) | CDK1CCNB1CDK2CDK5 | |
| SCHEMBL10817682 | 0.68 | HDAC1 (0.38) | CDK1CCNB1CDK2CDK5 | |
| SCHEMBL9583556 | 0.68 | CDK1 (0.37) | CYP1A2CLK4ALDH1A1TDP1KDM4E | |
| SCHEMBL9583584 | 0.66 | CYP1A2 (0.34) | CYP1A2CLK4ALDH1A1TSHRTDP1 | |
| SCHEMBL10814877 | 0.66 | KDM4E (0.32) | ALDH1A1KDM4E | |
| SCHEMBL10816876 | 0.64 | PDE3A (0.38) | CYP1A2CLK4ALDH1A1TSHRKDM4E | |
| SCHEMBL10812769 | 0.62 | MAPT (0.35) | ALDH1A1MAPTCDK1CCNB1CDK2 | |
| SCHEMBL9583290 | 0.62 | CDK5 (0.42) | TDP1KDM4ENPC1MAPTCDK1 | |
| SCHEMBL16683658 | 0.62 | CDK2 (0.45) | TDP1KDM4ENPC1MAPTCDK1 |
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-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 |