Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.55 |
| ▸ | HPGD | P15428 | 5/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.55 |
| ▸ | LMNA | P02545 | 3/20 | 0.55 |
| ▸ | POLB | P06746 | 2/20 | 0.55 |
| ▸ | NPC1 | O15118 | 10/20 | 0.53 |
| ▸ | RAB9A | P51151 | 9/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 9/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.53 |
| ▸ | ATR | Q13535 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 4/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28504949 | 0.90 | ALDH1A1 (0.54) | ALDH1A1HPGDKDM4ENPSR1LMNA | |
| SCHEMBL28492062 | 0.90 | ATR (0.54) | ALDH1A1HPGDKDM4ENPSR1LMNA | |
| SCHEMBL28492902 | 0.88 | NPC1 (0.54) | ALDH1A1HPGDKDM4ENPSR1LMNA | |
| SCHEMBL28904930 | 0.88 | SMN1; SMN2 (0.55) | ALDH1A1HPGDKDM4ENPSR1LMNA | |
| SCHEMBL28497141 | 0.87 | NPC1 (0.52) | ALDH1A1HPGDKDM4ENPSR1LMNA | |
| SCHEMBL28493817 | 0.87 | ALDH1A1 (0.50) | ALDH1A1HPGDKDM4ENPSR1LMNA | |
| SCHEMBL28490888 | 0.87 | ALDH1A1 (0.50) | ALDH1A1HPGDKDM4ENPSR1LMNA | |
| SCHEMBL28496577 | 0.86 | NPC1 (0.51) | ALDH1A1HPGDKDM4ENPSR1LMNA | |
| SCHEMBL28498595 | 0.86 | NPC1 (0.48) | ALDH1A1HPGDKDM4ENPSR1LMNA | |
| SCHEMBL28490923 | 0.85 | ALDH1A1 (0.51) | ALDH1A1HPGDKDM4ENPSR1LMNA |
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-108218848-B | Trifluoromethyl pyridine bisoxadiazole (ether) derivative and application thereof | 贵州大学 | 2020-12-18 | — | — | CN | disclosed |