Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDC7 | O00311 | 2/20 | 0.35 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.35 |
| ▸ | BUB1 | O43683 | 1/20 | 0.33 |
| ▸ | PDCD1 | Q15116 | 2/20 | 0.32 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.32 |
| ▸ | ATR | Q13535 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.31 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.31 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.31 |
| ▸ | CDK1 | P06493 | 2/20 | 0.31 |
| ▸ | KDR | P35968 | 2/20 | 0.31 |
| ▸ | PLK4 | O00444 | 1/20 | 0.31 |
| ▸ | AURKA | O14965 | 1/20 | 0.31 |
| ▸ | CHUK | O15111 | 1/20 | 0.31 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.31 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.31 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.31 |
| ▸ | PRKD3 | O94806 | 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 | |
|---|---|---|---|---|
| SCHEMBL6236885 | 0.81 | CDC7 (0.55) | CDC7ALKCDK1KDRROCK2 | |
| SCHEMBL6876454 | 0.81 | PTK2 (0.40) | ADORA1CDK1AURKALCKFGFR1 | |
| SCHEMBL6677800 | 0.79 | MAPT (0.46) | CDC7ALKKDRROCK2MAP4K4 | |
| SCHEMBL6270213 | 0.73 | FGFR1 (0.44) | ADORA1KDRFGFR1CLK4CYP3A4 | |
| SCHEMBL6683647 | 0.73 | PDE5A (0.41) | ADORA1KDRPRKD3MAP4K4LCK | |
| SCHEMBL6235443 | 0.68 | TP53 (0.41) | SYKKDM4EMAPT | |
| SCHEMBL28549594 | 0.67 | CYP3A4 (0.41) | ADORA1PDPK1ADORA2ACYP3A4KDM4E | |
| SCHEMBL6684324 | 0.66 | MKNK1 (0.45) | CDK1AURKAFGFR1CLK4CYP3A4 | |
| SCHEMBL31310616 | 0.65 | MAPKAPK2 (0.48) | CDC7ALKCDK1KDRKDM4E | |
| SCHEMBL28549525 | 0.64 | FABP4 (0.47) | CYP3A4KDM4EMAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0836613-B1 | WATER-SOLUBLE ADENOSINE KINASE INHIBITORS | METABASIS THERAPEUTICS INC (US) | 2005-05-25 | — | — | EP | disclosed |
| EP-0836613-A1 | WATER-SOLUBLE ADENOSINE KINASE INHIBITORS | GENSIA, INC. (US) | 1998-04-22 | — | — | EP | disclosed |
| WO-1996040707-A1 | WATER-SOLUBLE ADENOSINE KINASE INHIBITORS | GENSIA SICOR (US) | 1996-12-19 | — | — | WO | disclosed |