Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHA2 | P29317 | 5/20 | 0.39 |
| ▸ | KDR | P35968 | 5/20 | 0.39 |
| ▸ | EPHB4 | P54760 | 3/20 | 0.39 |
| ▸ | ERBB2 | P04626 | 3/20 | 0.39 |
| ▸ | EGFR | P00533 | 10/20 | 0.36 |
| ▸ | IDH1 | O75874 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | PIP4K2A | P48426 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.34 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.34 |
| ▸ | ERBB3 | P21860 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19089361 | 0.88 | EPHA2 (0.48) | EPHA2KDREPHB4ERBB2EGFR | |
| SCHEMBL19089359 | 0.85 | EGFR (0.36) | EPHB4ERBB2EGFRPIP4K2AERBB3 | |
| SCHEMBL35210260 | 0.85 | EGFR (0.52) | EGFR | |
| SCHEMBL20548935 | 0.85 | EGFR (0.52) | EGFR | |
| SCHEMBL20656019 | 0.85 | EGFR (0.39) | ERBB2EGFR | |
| SCHEMBL19089633 | 0.84 | EGFR (0.39) | EPHB4ERBB2EGFRPIP4K2AERBB3 | |
| SCHEMBL19089675 | 0.82 | EGFR (0.49) | KDREPHB4ERBB2EGFRERBB3 | |
| SCHEMBL19089356 | 0.79 | EGFR (0.39) | EGFRIKBKETBK1ERBB3 | |
| SCHEMBL19089568 | 0.78 | INSR (0.43) | EPHA2KDREPHB4ERBB2EGFR | |
| SCHEMBL19089341 | 0.77 | EGFR (0.41) | EPHB4EGFRERBB3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017114500-A1 | ACRYLANILIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATIONS THEREOF IN PHARMACY | 恩瑞生物医药科技(上海)有限公司 | 2017-07-06 | — | — | WO | disclosed |