Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | RAF1 | P04049 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.39 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.39 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.39 |
| ▸ | PPARD | Q03181 | 12/20 | 0.38 |
| ▸ | PPARA | Q07869 | 12/20 | 0.38 |
| ▸ | PPARG | P37231 | 10/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.33 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22091102 | 1.00 | EGFR (0.39) | EGFRRAF1KDRMAP2K2MAP2K1 | |
| SCHEMBL28476519 | 0.86 | EGFR (0.38) | EGFRRAF1KDRMAP2K2MAP2K1 | |
| SCHEMBL29981161 | 0.86 | EGFR (0.38) | EGFRRAF1KDRMAP2K2MAP2K1 | |
| SCHEMBL28476521 | 0.86 | EGFR (0.38) | EGFRRAF1KDRMAP2K2MAP2K1 | |
| SCHEMBL28484666 | 0.86 | EGFR (0.38) | EGFRRAF1KDRMAP2K2MAP2K1 | |
| SCHEMBL30947259 | 0.86 | PPARD (0.37) | PPARDPPARAPPARG | |
| SCHEMBL22091099 | 0.86 | PPARD (0.34) | EGFRRAF1KDRMAP2K2MAP2K1 | |
| SCHEMBL22091356 | 0.86 | PPARD (0.37) | PPARDPPARAPPARG | |
| SCHEMBL29982006 | 0.86 | EGFR (0.38) | EGFRRAF1KDRMAP2K2MAP2K1 | |
| SCHEMBL29267536 | 0.86 | PPARG (0.37) | PPARDPPARAPPARGMEN1KMT2A |
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-118894816-A | 3, 3-Difluoroallylamine or salt thereof and pharmaceutical composition comprising the same | 柳韩洋行 | 2024-11-05 | — | — | CN | disclosed |
| CN-113330001-B | 3, 3-Difluoroallylamine or salt thereof and pharmaceutical composition comprising the same | 柳韩洋行 | 2024-07-02 | — | — | CN | disclosed |