Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 5/20 | 0.44 |
| ▸ | CA9 | Q16790 | 5/20 | 0.44 |
| ▸ | CA1 | P00915 | 4/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.42 |
| ▸ | HPGD | P15428 | 6/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | TTR | P02766 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5036472 | 0.94 | CA2 (0.45) | CA2CA9CA1CA7CA12 | |
| SCHEMBL5041529 | 0.93 | KDM4E (0.42) | CA2CA9CA1CA7CA12 | |
| SCHEMBL5032652 | 0.92 | KDM4E (0.44) | KDM4EALDH1A1HPGDCYP3A4GAA | |
| SCHEMBL5039198 | 0.92 | CA2 (0.48) | CA2CA9CA1CA12KDM4E | |
| SCHEMBL5039094 | 0.90 | KDM4E (0.44) | CA2CA9CA1CA12KDM4E | |
| SCHEMBL5039162 | 0.90 | CA12 (0.47) | CA2CA9CA1CA12KDM4E | |
| SCHEMBL5132933 | 0.89 | MAPK1 (0.53) | KDM4EALDH1A1HPGDGAARXFP1 | |
| SCHEMBL5041375 | 0.88 | HPGD (0.43) | CA2CA9CA1CA7CA12 | |
| SCHEMBL5032612 | 0.88 | IDH2 (0.40) | KDM4EALDH1A1HPGDCYP3A4GAA | |
| SCHEMBL5035049 | 0.88 | KDM4E (0.43) | CA2CA9CA1CA12KDM4E |
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-1761541-B1 | PYRRAZOLO-PYRIMIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2008-01-09 | — | — | EP | claimed |