Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 13/20 | 0.71 |
| ▸ | ERBB2 | P04626 | 13/20 | 0.71 |
| ▸ | ERBB3 | P21860 | 2/20 | 0.57 |
| ▸ | KDR | P35968 | 2/20 | 0.57 |
| ▸ | PTK2 | Q05397 | 2/20 | 0.57 |
| ▸ | MMP2 | P08253 | 1/20 | 0.55 |
| ▸ | MMP9 | P14780 | 1/20 | 0.55 |
| ▸ | ATM | Q13315 | 2/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | GLA | P06280 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL31191423 | 1.00 | EGFR (0.71) | EGFRERBB2ERBB3KDRPTK2 | |
| SCHEMBL9356235 | 0.83 | EGFR (1.00) | EGFRERBB2ERBB3KDRPTK2 | |
| SCHEMBL9355987 | 0.83 | EGFR (0.67) | EGFRERBB2ERBB3KDRPTK2 | |
| SCHEMBL27594190 | 0.77 | EGFR (0.74) | EGFRERBB2ERBB3KDRPTK2 | |
| SCHEMBL9649368 | 0.77 | MAOB (0.69) | EGFRERBB2ATML3MBTL1MEN1 | |
| SCHEMBL28422516 | 0.76 | EGFR (0.57) | EGFRERBB2ERBB3KDRPTK2 | |
| SCHEMBL9356258 | 0.75 | EGFR (0.63) | EGFRERBB2ERBB3KDRPTK2 | |
| SCHEMBL9568963 | 0.75 | EGFR (1.00) | EGFRERBB2ERBB3KDRPTK2 | |
| SCHEMBL13680425 | 0.75 | EGFR (0.75) | EGFRERBB2ERBB3KDRPTK2 | |
| SCHEMBL395608 | 0.75 | MEN1 (0.73) | EGFRERBB2ATML3MBTL1MEN1 |
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-102915834-B | A kind of all-solid-state electrical energy storage device that is positive charge storage material with pyrazolines derivative | INSTITUTE OF CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) | 2016-01-13 | — | — | CN | disclosed |
| CN-102915834-A | Positive charge storage material for all-solid-state electrical energy storage devices | CHINESE ACAD INST CHEMISTRY | 2013-02-06 | — | — | CN | disclosed |