Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 5/20 | 0.46 |
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 8/20 | 0.44 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 4/20 | 0.41 |
| ▸ | GFER | P55789 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17447940 | 0.86 | RIPK2 (0.40) | SMN1; SMN2MAPK14CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL17447961 | 0.83 | RAB9A (0.46) | RAB9ANPC1SMN1; SMN2MAPTMAPK14 | |
| SCHEMBL17447808 | 0.79 | BTK (0.39) | RIPK2 | |
| SCHEMBL17448035 | 0.74 | RAB9A (0.39) | RAB9AMEN1KMT2APDE4BPDE4D | |
| SCHEMBL8359793 | 0.69 | MAPT (0.59) | RAB9ANPC1SMN1; SMN2MAPTMAPK14 | |
| SCHEMBL17447927 | 0.69 | LMNA (0.36) | SMN1; SMN2MEN1KMT2ALMNA | |
| SCHEMBL17447789 | 0.67 | MTNR1A (0.34) | — | |
| SCHEMBL17448039 | 0.67 | MTNR1A (0.32) | — | |
| SCHEMBL28389945 | 0.67 | MTNR1A (0.34) | — | |
| SCHEMBL17447925 | 0.67 | PARP1 (0.42) | CYP3A4 |
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 |