Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 14/20 | 0.62 |
| ▸ | EGFR | P00533 | 13/20 | 0.62 |
| ▸ | PDGFRB | P09619 | 11/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | PDGFRA | P16234 | 7/20 | 0.42 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL19242503 | 0.76 | ALDH1A1 (0.61) | KDREGFRPDGFRBALDH1A1KDM4E | |
| SCHEMBL24802390 | 0.73 | KDR (0.49) | KDREGFRPDGFRBALDH1A1KDM4E | |
| SCHEMBL3124020 | 0.73 | KDR (0.54) | KDREGFRPDGFRBALDH1A1KDM4E | |
| SCHEMBL17860625 | 0.73 | KDR (0.49) | KDREGFRPDGFRBALDH1A1KDM4E | |
| SCHEMBL17837024 | 0.73 | EGFR (0.68) | KDREGFRPDGFRBALDH1A1GAA | |
| SCHEMBL13276260 | 0.73 | EGFR (0.71) | KDREGFRPDGFRBALDH1A1KDM4E | |
| SCHEMBL29490225 | 0.71 | EGFR (0.50) | KDREGFRPDGFRBKDM4EPDGFRA | |
| SCHEMBL22862964 | 0.71 | EGFR (0.50) | KDREGFRPDGFRBALDH1A1KDM4E | |
| SCHEMBL22862686 | 0.71 | EGFR (0.50) | KDREGFRPDGFRBKDM4EPDGFRA | |
| SCHEMBL29490226 | 0.71 | EGFR (0.50) | KDREGFRPDGFRBALDH1A1KDM4E |
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-2016100495-A1 | CONFORMATIONALLY RESTRICTED 4-SUBSTITUTED-2,6-DIMETHYLFURO[2,3-d]PYRIMIDINES AS ANTITUMOR AGENTS | DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) | 2016-06-23 | — | — | WO | disclosed |