Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA3 | P07451 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | CA6 | P23280 | 1/20 | 0.34 |
| ▸ | CA5A | P35218 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.34 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | MMP1 | P03956 | 1/20 | 0.31 |
| ▸ | MMP7 | P09237 | 1/20 | 0.31 |
| ▸ | MMP8 | P22894 | 1/20 | 0.31 |
| ▸ | MMP12 | P39900 | 1/20 | 0.31 |
| ▸ | MMP13 | P45452 | 1/20 | 0.31 |
| ▸ | CHEK1 | O14757 | 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 | |
|---|---|---|---|---|
| SCHEMBL1939622 | 0.94 | VCAM1 (0.37) | CA2CA12CA1CA3CA4 | |
| SCHEMBL1939205 | 0.84 | GSTO1 (0.42) | CA2CA12CA1CA3CA4 | |
| SCHEMBL1938623 | 0.77 | VCAM1 (0.40) | CA2VCAM1SMN1; SMN2GSTO1 | |
| SCHEMBL1938333 | 0.73 | CA2 (0.47) | CA2CA12CA1CA3CA4 | |
| SCHEMBL1938337 | 0.72 | GSTO1 (0.39) | CA2CA12CA1CA3CA4 | |
| SCHEMBL1940129 | 0.69 | KDM4E (0.37) | CA2CA12CA1CA3CA4 | |
| SCHEMBL1940985 | 0.69 | CFTR (0.35) | CA2CA12CA1CA3CA4 | |
| SCHEMBL1940126 | 0.69 | PSEN1 (0.35) | CA2CA12CA1CA3CA4 | |
| SCHEMBL1939353 | 0.69 | VCAM1 (0.58) | VCAM1SMN1; SMN2 | |
| SCHEMBL1939691 | 0.68 | ALDH1A1 (0.49) | CA2CA12CA9CHEK1 |
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 |
|---|---|---|---|---|---|---|---|
| JP-2008530042-A | — | — | 2008-08-07 | — | — | JP | claimed |
| EP-1851225-A1 | PYRAZOLO-PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2007-11-07 | — | — | EP | claimed |
| WO-2006084634-A1 | PYRAZOLO-PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2006-08-17 | — | — | WO | claimed |
| EP-1851225-A1 | PYRAZOLO-PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2007-11-07 | — | — | EP | disclosed |
| WO-2006084634-A1 | PYRAZOLO-PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2006-08-17 | — | — | WO | disclosed |