Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | HTR7 | P34969 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 5/20 | 0.39 |
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | TP53 | P04637 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | C1R | P00736 | 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 | |
|---|---|---|---|---|
| SCHEMBL28186239 | 0.74 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2HPGDRAB9ANPC1 | |
| SCHEMBL28186241 | 0.73 | NOTUM (0.39) | ALDH1A1HPGDL3MBTL1C1R | |
| SCHEMBL28185536 | 0.71 | HPGD (0.44) | ALDH1A1SMN1; SMN2HPGDKDM4EGAA | |
| SCHEMBL944259 | 0.68 | CA1 (0.55) | ALDH1A1HPGDKDM4ETP53L3MBTL1 | |
| SCHEMBL26672171 | 0.68 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2KDM4ELMNAGAA | |
| SCHEMBL301996 | 0.65 | CA1 (0.71) | ALDH1A1SMN1; SMN2HPGDKDM4ELMNA | |
| SCHEMBL29788337 | 0.65 | CA1 (0.71) | ALDH1A1SMN1; SMN2HPGDKDM4ELMNA | |
| SCHEMBL29429633 | 0.65 | CA1 (0.71) | ALDH1A1SMN1; SMN2HPGDKDM4ELMNA | |
| SCHEMBL5157815 | 0.65 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2HPGDKDM4ELMNA | |
| SCHEMBL29840676 | 0.64 | METAP2 (0.49) | ALDH1A1SMN1; SMN2HPGDKDM4EGAA |
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-107382892-A | A kind of preparation technology of the nitro isoxazole compound of 3 aryl 4 | 贵州大学 | 2017-11-24 | — | — | CN | disclosed |