Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.41 |
| ▸ | PNMT | P11086 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.40 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4020417 | 0.84 | NOS3 (0.43) | NOTUMADRA2ACYP2D6ADRA2BADRA2C | |
| SCHEMBL5834994 | 0.83 | CHRM3 (0.54) | CYP1A2CYP2D6ADRA1AADRA1B | |
| SCHEMBL17447967 | 0.81 | MTNR1A (0.47) | CYP1A2ADRA2ACYP2D6ADRA2BADRA2C | |
| SCHEMBL27392234 | 0.81 | PARP1 (0.44) | CYP1A2EPHX2 | |
| SCHEMBL8080856 | 0.80 | CYP1A2 (0.62) | CYP1A2EPHX2MTNR1AMTNR1B | |
| SCHEMBL8079530 | 0.80 | CYP1A2 (0.62) | CYP1A2EPHX2MTNR1AMTNR1B | |
| SCHEMBL345918 | 0.80 | CYP1A2 (0.62) | CYP1A2EPHX2MTNR1AMTNR1B | |
| SCHEMBL14439415 | 0.78 | CYP1A2 (0.44) | CYP1A2EPHX2MTNR1AMTNR1B | |
| SCHEMBL7790536 | 0.78 | CYP1A2 (0.41) | CYP1A2EPHX2MTNR1AMTNR1BKMT2A | |
| SCHEMBL23045121 | 0.77 | TRPV1 (0.45) | ADRA2ACYP2D6ADRA2BADRA2CADRA1D |
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 3 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 |
| 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 |