Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 6/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | APOBEC3G | Q9HC16 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MPI | P34949 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | NISCH | Q9Y2I1 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL17447859 | 0.82 | PRKACA (0.35) | MAPTALDH1A1KDM4EAPOBEC3GGAA | |
| SCHEMBL17447890 | 0.81 | NISCH (0.47) | MAPTALDH1A1KDM4EAPOBEC3GGAA | |
| SCHEMBL17447930 | 0.78 | NISCH (0.44) | NISCHMAPK1PRKACAPRKACGPRKACB | |
| SCHEMBL17448043 | 0.71 | NISCH (0.35) | MAPTALDH1A1KDM4EHSD17B10NISCH | |
| SCHEMBL17447906 | 0.70 | NISCH (0.50) | GAANISCHPRKACAPRKACGPRKACB | |
| SCHEMBL17447914 | 0.69 | NISCH (0.39) | GAANISCHPRKACAPRKACGPRKACB | |
| SCHEMBL31278216 | 0.67 | PRKACA (0.42) | PRKACAPRKACGPRKACB | |
| SCHEMBL12699689 | 0.66 | LTA4H (0.56) | LTA4H | |
| SCHEMBL12699765 | 0.66 | LTA4H (0.56) | LTA4H | |
| SCHEMBL31278318 | 0.66 | PRKACA (0.46) | MAPTALDH1A1KDM4EGAAHSD17B10 |
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 |