Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 10/20 | 0.37 |
| ▸ | CA1 | P00915 | 8/20 | 0.37 |
| ▸ | CA9 | Q16790 | 7/20 | 0.37 |
| ▸ | CA6 | P23280 | 3/20 | 0.36 |
| ▸ | CA12 | O43570 | 3/20 | 0.36 |
| ▸ | CA4 | P22748 | 2/20 | 0.36 |
| ▸ | CA5A | P35218 | 2/20 | 0.36 |
| ▸ | CA7 | P43166 | 2/20 | 0.36 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | STAT3 | P40763 | 1/20 | 0.33 |
| ▸ | PTGES2 | Q9H7Z7 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14200446 | 0.77 | CYP3A4 (0.46) | CYP2C9MAPK1 | |
| SCHEMBL13038588 | 0.75 | CYP3A4 (0.43) | CYP2C9MAPK1 | |
| SCHEMBL8346103 | 0.72 | CD44 (0.30) | — | |
| SCHEMBL14199699 | 0.71 | — | — | |
| SCHEMBL16152376 | 0.65 | ALDH1A1 (0.31) | — | |
| SCHEMBL14199960 | 0.63 | HTR1B (0.43) | MAPK1 | |
| SCHEMBL202947 | 0.61 | CA2 (0.70) | CA2CA1CA9CA6CA12 | |
| SCHEMBL1142906 | 0.61 | CA2 (0.50) | CA2CA1CA9CA6CA12 | |
| SCHEMBL10077289 | 0.61 | CD44 (0.30) | — | |
| SCHEMBL9138970 | 0.60 | CDK2 (0.78) | CA2CA1CA9CA6CA12 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1284734-B1 | ISOQUINOLINE DERIVATIVES AS PROTEIN KINASE INHIBITORS | CUREGENICS LTD (IL) | 2008-05-21 | — | — | EP | disclosed |