Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | PTGDR2 | Q9Y5Y4 | 3/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | BRAF | P15056 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 5/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7364012 | 0.85 | PTGS2 (0.35) | ALDH1A1GAAKDM4EHPGDHTT | |
| SCHEMBL7367472 | 0.82 | KDM4E (0.39) | ALDH1A1GAAKDM4ECYP3A4HPGD | |
| SCHEMBL7364009 | 0.68 | LMNA (0.37) | ALDH1A1GAAKDM4EHPGDHTT | |
| SCHEMBL7373754 | 0.68 | IGF1R (0.39) | AURKAPTGDR2MAPK14 | |
| SCHEMBL5673928 | 0.67 | MAPK14 (0.40) | CYP3A4AURKAPTGDR2MAPK14CYP11B1 | |
| SCHEMBL6818747 | 0.66 | AURKA (0.39) | ALDH1A1GAAKDM4ECYP3A4HPGD | |
| SCHEMBL5673943 | 0.63 | KDR (0.42) | CYP3A4MAPK14CYP11B1MEN1KMT2A | |
| SCHEMBL3652098 | 0.63 | BRAF (0.46) | ALDH1A1GAAKDM4ECYP3A4HPGD | |
| SCHEMBL5671102 | 0.62 | MAPK14 (0.50) | LMNANPSR1BRAFMAPK14 | |
| SCHEMBL28279253 | 0.62 | DYRK1A (0.51) | ALDH1A1GAAKDM4ECYP3A4HPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1244669-A1 | PYRAZOLOPYRAZINES AND THEIR USE AS ADENOSINE ANTAGONISTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2002-10-02 | — | — | EP | disclosed |
| WO-2001040230-A1 | PYRAZOLOPYRAZINES AND THEIR USE AS ADENOSINE ANTAGONISTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2001-06-07 | — | — | WO | disclosed |