Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | PI4KA | P42356 | 1/20 | 0.35 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.35 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.35 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.33 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.32 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.32 |
| ▸ | CETP | P11597 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 3/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 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 | |
|---|---|---|---|---|
| SCHEMBL1129156 | 0.90 | AURKA (0.38) | CHEK1AURKAALDH1A1CDK1GAA | |
| SCHEMBL1128852 | 0.83 | CHEK1 (0.40) | CHEK1AURKACDK1CCR4 | |
| SCHEMBL8466429 | 0.83 | PI4KA (0.46) | PI4KAPI4K2BPI4K2API4KBALDH1A1 | |
| SCHEMBL8466508 | 0.74 | RPS6KB1 (0.42) | PI4KAPI4K2BPI4K2API4KBHCAR2 | |
| SCHEMBL1128452 | 0.72 | CHEK1 (0.47) | CHEK1AURKACDK1MAPTKMT2A | |
| SCHEMBL4925835 | 0.71 | HCAR2 (0.33) | ALDH1A1HCAR2HCAR3GAA | |
| SCHEMBL9918632 | 0.71 | CCR4 (0.50) | CHEK1AURKAALDH1A1CDK1MAPT | |
| SCHEMBL6273818 | 0.71 | ALDH1A1 (0.36) | PI4KAPI4K2BPI4K2API4KBALDH1A1 | |
| SCHEMBL1128551 | 0.71 | CHEK1 (0.43) | CHEK1AURKACDK1MEN1KMT2A | |
| SCHEMBL4931635 | 0.71 | AURKA (0.39) | CHEK1AURKACDK1CCR4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0496617-B1 | Adenosine kinase inhibitors | METABASIS THERAPEUTICS INC (US) | 1999-12-01 | — | — | EP | disclosed |
| US-5646128-A | TREATING INFLAMMATION, SEPSIS, SEPTIC SHOCK, BURNS | GENSIA, INC. (US) | 1997-07-08 | — | — | US | disclosed |
| WO-1994017803-A9 | ADENOSINE KINASE INHIBITORS | — | 1994-09-29 | — | — | WO | disclosed |
| WO-1992012718-A1 | ADENOSINE KINASE INHIBITORS | GENSIA, INC. (US) | 1992-08-06 | — | — | WO | disclosed |
| EP-0496617-A1 | Adenosine kinase inhibitors | GENSIA, INC. (US) | 1992-07-29 | — | — | EP | disclosed |