Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 9/20 | 0.44 |
| ▸ | CA2 | P00918 | 9/20 | 0.44 |
| ▸ | CA9 | Q16790 | 7/20 | 0.44 |
| ▸ | CA5A | P35218 | 3/20 | 0.42 |
| ▸ | STAT3 | P40763 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CA6 | P23280 | 3/20 | 0.39 |
| ▸ | CA12 | O43570 | 3/20 | 0.39 |
| ▸ | CA4 | P22748 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CA7 | P43166 | 2/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | F10 | P00742 | 3/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.39 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.39 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4593438 | 0.82 | CA1 (0.56) | CDK2CA1CA2CA9CA5A | |
| SCHEMBL3559324 | 0.76 | ALDH1A1 (0.50) | CDK2CA1CA2MAPK1CA6 | |
| SCHEMBL5518503 | 0.76 | CDK2 (0.63) | CDK2CA1CA2CA9CA5A | |
| SCHEMBL1121320 | 0.72 | CA1 (0.61) | CDK2CA1CA2CA9CA5A | |
| SCHEMBL8988809 | 0.72 | GAA (0.38) | CDK2CA1CA2CA9CA5A | |
| SCHEMBL27523119 | 0.71 | CA1 (0.51) | CDK2CA1CA2CA9CA5A | |
| SCHEMBL4658049 | 0.71 | ALDH1A1 (0.52) | CDK2CA1CA2CA9CA5A | |
| SCHEMBL1685391 | 0.71 | ALDH1A1 (0.52) | CDK2CA1CA2CA9CA5A | |
| SCHEMBL7562109 | 0.71 | TTR (0.41) | CA1CA2CA9CA5AF10 | |
| SCHEMBL6657862 | 0.71 | CA1 (0.55) | CDK2CA1CA2CA9CA5A |
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-1934214-A1 | OXADIAZOLYL PYRAZOLO-PYRIMIDINES AS MGLUR2 ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2008-06-25 | — | — | EP | disclosed |
| WO-2007039439-A1 | OXADIAZOLYL PYRAZOLO-PYRIMIDINES AS MGLUR2 ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2007-04-12 | — | — | WO | disclosed |