Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.35 |
| ▸ | RAB9A | P51151 | 5/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.32 |
| ▸ | RELA | Q04206 | 2/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28352016 | 0.84 | KDM4E (0.40) | BACE1SMN1; SMN2MAPTTSHRALDH1A1 | |
| SCHEMBL28356027 | 0.82 | SMN1; SMN2 (0.46) | MEN1KMT2ABACE1GAASMN1; SMN2 | |
| SCHEMBL28352234 | 0.82 | BACE1 (0.36) | MEN1KMT2ABACE1SMN1; SMN2L3MBTL1 | |
| SCHEMBL28260482 | 0.79 | LMNA (0.41) | RAB9AGAASMN1; SMN2L3MBTL1MAPT | |
| SCHEMBL28355990 | 0.77 | CA1 (0.41) | MEN1KMT2AGAAL3MBTL1MAPT | |
| SCHEMBL28355808 | 0.75 | SMN1; SMN2 (0.38) | MEN1KMT2ABACE1GAASMN1; SMN2 | |
| SCHEMBL28261809 | 0.72 | TSHR (0.41) | SMN1; SMN2TSHR | |
| SCHEMBL28260511 | 0.72 | SMN1; SMN2 (0.40) | GAASMN1; SMN2TSHRALDH1A1 | |
| SCHEMBL30663969 | 0.71 | CES2 (0.36) | NPC1RAB9ABACE1GAASMN1; SMN2 | |
| SCHEMBL26605100 | 0.71 | CA1 (0.36) | MEN1KMT2ABACE1SMN1; SMN2L3MBTL1 |
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-108997183-B | Difluoromethylation reagent and preparation method and application thereof | 深圳大学 | 2020-02-07 | — | — | CN | claimed |
| CN-108997183-B | Difluoromethylation reagent and preparation method and application thereof | 深圳大学 | 2020-02-07 | — | — | CN | disclosed |