Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 4/20 | 0.34 |
| ▸ | MTNR1B | P49286 | 4/20 | 0.34 |
| ▸ | TPH1 | P17752 | 1/20 | 0.33 |
| ▸ | SRC | P12931 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | MMP1 | P03956 | 2/20 | 0.31 |
| ▸ | FCER2 | P06734 | 2/20 | 0.31 |
| ▸ | MMP9 | P14780 | 2/20 | 0.31 |
| ▸ | MMP3 | P08254 | 1/20 | 0.31 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.31 |
| ▸ | NPY1R | P25929 | 1/20 | 0.31 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.31 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.30 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.30 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.30 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.30 |
| ▸ | PRKDC | P78527 | 1/20 | 0.30 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.30 |
| ▸ | F2 | P00734 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28389945 | 1.00 | MTNR1A (0.34) | MTNR1AMTNR1BTPH1SRCKCNH2 | |
| SCHEMBL28394659 | 0.83 | BTK (0.35) | MMP1FCER2MMP9MMP3 | |
| SCHEMBL17447827 | 0.83 | BTK (0.35) | MMP1FCER2MMP9MMP3 | |
| SCHEMBL17447794 | 0.83 | BTK (0.35) | MMP1FCER2MMP9MMP3 | |
| SCHEMBL17447973 | 0.82 | PRKACA (0.34) | PIK3CDPIK3CAPIK3CBPIK3CGPRKDC | |
| Hydrochloric Acid SCHEMBL28392054 | 0.81 | PRKACA (0.34) | PIK3CDPIK3CAPIK3CBPIK3CGPRKDC | |
| Hydrochloric Acid SCHEMBL28392057 | 0.81 | PRKACA (0.34) | PIK3CDPIK3CAPIK3CBPIK3CGPRKDC | |
| SCHEMBL17447927 | 0.80 | LMNA (0.36) | MTNR1AMTNR1BCHRNA7NPY1RNPY5R | |
| SCHEMBL17448039 | 0.78 | MTNR1A (0.32) | MTNR1AMTNR1BCHRNA7PIK3CDPIK3CA | |
| SCHEMBL17447905 | 0.77 | PARP1 (0.41) | MTNR1AMTNR1BSRCKCNH2CHRNA7 |
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 |