Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 10/20 | 0.44 |
| ▸ | ERBB3 | P21860 | 3/20 | 0.44 |
| ▸ | TNNI3K | Q59H18 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ERBB2 | P04626 | 3/20 | 0.40 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.38 |
| ▸ | EPHB4 | P54760 | 2/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | INSR | P06213 | 1/20 | 0.38 |
| ▸ | FBP1 | P09467 | 1/20 | 0.38 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.38 |
| ▸ | FLT4 | P35916 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | CLK1 | P49759 | 1/20 | 0.38 |
| ▸ | TEK | Q02763 | 1/20 | 0.38 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.38 |
| ▸ | CDK9 | P50750 | 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 | |
|---|---|---|---|---|
| SCHEMBL19089669 | 0.89 | EGFR (0.49) | EGFRERBB3TNNI3KERBB2EPHB4 | |
| SCHEMBL19089425 | 0.83 | CDK4 (0.40) | EGFRERBB3TNNI3KALDH1A1SMN1; SMN2 | |
| SCHEMBL35210348 | 0.83 | CDK4 (0.40) | EGFRERBB3TNNI3KALDH1A1SMN1; SMN2 | |
| SCHEMBL20548944 | 0.80 | EGFR (0.43) | EGFRERBB3TNNI3KERBB2EPHB4 | |
| SCHEMBL19089424 | 0.80 | KMT2A (0.43) | EGFRERBB3TNNI3KALDH1A1L3MBTL1 | |
| SCHEMBL19089505 | 0.79 | EGFR (0.56) | EGFRERBB3TNNI3KERBB2FBP1 | |
| SCHEMBL19089668 | 0.76 | EGFR (0.54) | EGFRKDR | |
| SCHEMBL31588399 | 0.74 | SCN9A (0.43) | ALDH1A1SMN1; SMN2L3MBTL1 | |
| SCHEMBL19089463 | 0.73 | EGFR (0.47) | EGFRERBB3ERBB2AURKAAURKB | |
| SCHEMBL15486608 | 0.72 | ALDH1A1 (0.49) | EGFRERBB3TNNI3KALDH1A1 |
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 |