Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CDK1 | P06493 | 1/20 | 0.38 |
| ▸ | QPCT | Q16769 | 1/20 | 0.37 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6270213 | 0.93 | FGFR1 (0.44) | MKNK1ALDH1A1CYP1A2CYP3A4CLK4 | |
| SCHEMBL6677800 | 0.83 | MAPT (0.46) | ALDH1A1CYP1A2CYP3A4CLK4CYP2D6 | |
| SCHEMBL6683647 | 0.80 | PDE5A (0.41) | MKNK1CLK4MAPTHPGDTTBK1 | |
| SCHEMBL6876454 | 0.75 | PTK2 (0.40) | MAPK10AURKACDK1FGFR1MAPT | |
| SCHEMBL6876431 | 0.70 | POLB (0.44) | ALDH1A1CYP1A2CYP3A4CLK4CYP2D6 | |
| SCHEMBL17364048 | 0.63 | ADORA1 (0.48) | ALDH1A1CYP1A2CYP3A4CLK4CYP2D6 | |
| SCHEMBL4922514 | 0.63 | MKNK1 (0.61) | MKNK1MAPK1AURKATDP1GRM4 | |
| SCHEMBL4922517 | 0.62 | MKNK1 (1.00) | MKNK1MAPK1TSHRMAPTHPGD | |
| SCHEMBL2041513 | 0.62 | DHODH (0.56) | MKNK1MAPK1MAPK10AURKAMAPT | |
| SCHEMBL7211879 | 0.61 | PTGS2 (0.60) | MAPK1MAPK10MAPK14AURKAMAPT |
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-0832092-B1 | ORALLY ACTIVE ADENOSINE KINASE INHIBITORS | METABASIS THERAPEUTICS INC (US) | 2004-11-17 | — | — | EP | disclosed |
| EP-0832091-B1 | C-4' MODIFIED ADENOSINE KINASE INHIBITORS | GENSIA SICOR INC (US) | 2004-01-14 | — | — | EP | disclosed |
| EP-0832092-A1 | ORALLY ACTIVE ADENOSINE KINASE INHIBITORS | GENSIA, INC. (US) | 1998-04-01 | — | — | EP | disclosed |
| WO-1996040706-A1 | ORALLY ACTIVE ADENOSINE KINASE INHIBITORS | GENSIA-SICOR (US) | 1996-12-19 | — | — | WO | disclosed |