Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 11/20 | 0.46 |
| ▸ | CA9 | Q16790 | 11/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 3/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.40 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.37 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7685102 | 0.82 | CCR5 (0.46) | CA12CA9CA2ALOX5 | |
| SCHEMBL914240 | 0.81 | CA12 (0.59) | CA12CA9KDM4EALDH1A1ALOX5 | |
| SCHEMBL3086662 | 0.79 | CA12 (0.46) | CA12CA9KDM4EALDH1A1GAA | |
| SCHEMBL7700889 | 0.77 | CA12 (0.63) | CA12CA9KDM4EALDH1A1GAA | |
| SCHEMBL5209506 | 0.77 | CCR2 (0.46) | CA12CA9CA2ALOX5 | |
| SCHEMBL947578 | 0.77 | KDM4E (0.43) | CA12CA9KDM4EALDH1A1GAA | |
| SCHEMBL7388942 | 0.75 | ALOX5 (0.43) | KDM4EALDH1A1ALOX5RIPK1 | |
| SCHEMBL5203826 | 0.74 | CA12 (0.43) | CA12CA9ALDH1A1CA2ALOX5 | |
| SCHEMBL15259712 | 0.73 | KDM4E (0.41) | KDM4EALDH1A1GAARIPK1ESR1 | |
| SCHEMBL5209478 | 0.73 | KMT2A (0.44) | CA12CA9KDM4EALDH1A1GAA |
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 |
|---|---|---|---|---|---|---|---|
| CN-106687446-B | 5-amino-4-carbamoyl-pyrazole compounds as selective and irreversible kinase inhibitors of T790M/WT-EGFR and uses thereof | 百济神州(北京)生物科技有限公司 | 2020-04-28 | — | — | CN | disclosed |
| WO-2016008411-A1 | 5-AMINO-4-CARBAMOYL-PYRAZOLE COMPOUNDS AS SELECTIVE AND IRREVERSIBLE T790M OVER WT-EGFR KINASE INHIBITORS AND USE THEREOF | BEIGENE, LTD. (KY) | 2016-01-21 | — | — | WO | disclosed |