Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 7/20 | 0.54 |
| ▸ | TEK | Q02763 | 6/20 | 0.54 |
| ▸ | EPHB4 | P54760 | 4/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | WNT3A | P56704 | 9/20 | 0.38 |
| ▸ | ALPL | P05186 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | IGF1R | P08069 | 1/20 | 0.36 |
| ▸ | MET | P08581 | 1/20 | 0.36 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.36 |
| ▸ | KIT | P10721 | 1/20 | 0.36 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.36 |
| ▸ | BRAF | P15056 | 1/20 | 0.36 |
| ▸ | FLT1 | P17948 | 1/20 | 0.36 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.36 |
| ▸ | FLT4 | P35916 | 1/20 | 0.36 |
| ▸ | IDH1 | O75874 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28093557 | 0.81 | GRIK1 (0.42) | KDRTEKEPHB4ALDH1A1 | |
| SCHEMBL1527189 | 0.77 | ALDH1A1 (0.55) | KDRTEKEPHB4EPHX2ALPL | |
| SCHEMBL28084454 | 0.75 | KDR (0.48) | KDRTEKEPHB4EPHX2 | |
| SCHEMBL12231264 | 0.74 | CFTR (0.51) | — | |
| SCHEMBL17101064 | 0.74 | KDR (0.49) | KDRTEKEPHB4EPHX2ALPL | |
| SCHEMBL16095311 | 0.74 | KDR (0.49) | KDRTEKEPHB4EPHX2ALDH1A1 | |
| SCHEMBL9416738 | 0.73 | MAPT (0.54) | TEKALDH1A1 | |
| SCHEMBL25626540 | 0.73 | KDR (0.48) | KDRTEKEPHB4EPHX2ALPL | |
| SCHEMBL28084468 | 0.72 | KDR (0.46) | KDRTEKEPHB4EPHX2ALPL | |
| SCHEMBL3505480 | 0.72 | KDR (0.46) | KDRTEKEPHB4EPHX2ALPL |
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-105924403-B | A kind of ring propane diamide compound with anti-tumor activity and its preparation method and application | 西安交通大学 | 2018-07-17 | — | — | CN | disclosed |
| CN-105924403-A | Cyclomalonamide compound with antitumor activity, and preparation method and application thereof | 西安交通大学 | 2016-09-07 | — | — | CN | disclosed |
| CN-105906568-A | Cyclopropane diamide compound with antitumor activity and preparation method and application thereof | 西安交通大学 | 2016-08-31 | — | — | CN | disclosed |