Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.46 |
| ▸ | SRC | P12931 | 1/20 | 0.46 |
| ▸ | FEN1 | P39748 | 1/20 | 0.43 |
| ▸ | KDM4C | Q9H3R0 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | KDM5A | P29375 | 2/20 | 0.42 |
| ▸ | KDM6B | O15054 | 2/20 | 0.42 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.41 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 4/20 | 0.39 |
| ▸ | NSD3 | Q9BZ95 | 1/20 | 0.38 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | NAMPT | P43490 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL6477966 | 0.92 | EGFR (0.51) | EGFRSRCFEN1KDM4EALDH1A1 | |
| SCHEMBL7489307 | 0.80 | ALDH1A1 (0.58) | EGFRKDM4EALDH1A1POLBHPGD | |
| SCHEMBL6487256 | 0.78 | ABCB1 (0.43) | EGFRSRCFEN1KDM4CKDM4E | |
| SCHEMBL6487252 | 0.78 | ABCB1 (0.43) | EGFRSRCFEN1KDM4CKDM4E | |
| SCHEMBL15074638 | 0.77 | NSD3 (0.49) | KDM4EALDH1A1POLBHPGDDHODH | |
| SCHEMBL21979475 | 0.77 | EGFR (0.50) | EGFRSRCFEN1KDM4CKDM4E | |
| SCHEMBL6485737 | 0.72 | CYP1A2 (0.42) | KDM4EALDH1A1POLBHPGDDHODH | |
| SCHEMBL29912955 | 0.72 | CYP1A2 (0.42) | KDM4EALDH1A1POLBHPGDDHODH | |
| SCHEMBL4064012 | 0.72 | USP14 (0.47) | FEN1KDM4CKDM4EKDM5AKDM6B | |
| SCHEMBL11078500 | 0.71 | FEN1 (0.52) | EGFRSRCFEN1KDM4CKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-1641791-B1 | 3-(GUANIDINOCARBONYL)HETEROCYCLE DERIVATIVES, PREPARATION PROCESS AND INTERMEDIATES OF THIS PROCESS, THEIR USE AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS INCLUDING THEM | SANOFI AVENTIS DEUTSCHLAND (DE) | 2009-07-29 | — | — | EP | disclosed |