Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 3/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.46 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | MME | P08473 | 1/20 | 0.44 |
| ▸ | MMEL1 | Q495T6 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL10389966 | 0.91 | PTGDR2 (0.65) | PTGDR2KDM4EALDH1A1NPSR1SLC9A1 | |
| SCHEMBL17709397 | 0.84 | KDM4E (0.50) | PTGDR2KDM4EHPGDHSD17B10ALDH1A1 | |
| SCHEMBL10389967 | 0.84 | PTGDR2 (0.65) | PTGDR2KDM4EALDH1A1NPSR1SLC9A1 | |
| SCHEMBL28530771 | 0.81 | SLC6A4 (0.58) | KDM4EHPGDHSD17B10SLC6A4SLC6A3 | |
| SCHEMBL20573401 | 0.81 | PTGDR2 (0.61) | PTGDR2KDM4EALDH1A1NPSR1SLC9A1 | |
| SCHEMBL1834873 | 0.80 | KDM4E (0.61) | KDM4EHPGDHSD17B10ALDH1A1L3MBTL1 | |
| SCHEMBL16395376 | 0.79 | BACE1 (0.47) | PTGDR2KDM4EHPGDHSD17B10ALDH1A1 | |
| SCHEMBL3759371 | 0.79 | PTGDR2 (0.57) | PTGDR2KDM4EHPGDHSD17B10ALDH1A1 | |
| SCHEMBL29634149 | 0.79 | PTGDR2 (0.57) | PTGDR2KDM4EHPGDHSD17B10ALDH1A1 | |
| SCHEMBL5004237 | 0.78 | PTGDR2 (0.74) | PTGDR2KDM4EALDH1A1L3MBTL1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-112279770-A | Chiral alpha-polysubstituted-alpha-fluorine-containing homoallylamine compound, and preparation method and application thereof | 武汉大学 | 2021-01-29 | — | — | CN | disclosed |