Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | THPO | P40225 | 1/20 | 0.33 |
| ▸ | STAT6 | P42226 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | GMNN | O75496 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MTOR | P42345 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | APLNR | P35414 | 1/20 | 0.32 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.31 |
| ▸ | GRM4 | Q14833 | 4/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28879075 | 0.98 | MAPK1 (0.32) | CYP2C19MAPK1SMN1; SMN2TP53NFKB1 | |
| SCHEMBL7382655 | 0.77 | MAPK1 (0.34) | CYP2C19MAPK1SMN1; SMN2TP53NFKB1 | |
| SCHEMBL13173136 | 0.75 | MAPK1 (0.33) | CYP2C19MAPK1SMN1; SMN2TP53NFKB1 | |
| SCHEMBL7377644 | 0.75 | LMNA (0.34) | CYP2C19MAPK1SMN1; SMN2TP53NFKB1 | |
| SCHEMBL7387353 | 0.72 | MAPK1 (0.31) | CYP2C19MAPK1SMN1; SMN2TP53NFKB1 | |
| SCHEMBL335112 | 0.66 | — | — | |
| SCHEMBL948961 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL23213360 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL23213361 | 0.66 | — | — | |
| Carbamic Acid SCHEMBL25294163 | 0.66 | FFAR3 (0.38) | CYP2C19MAPK1SMN1; SMN2TP53NFKB1 |
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-115279753-A | Crystalline forms of (2R, 4R) -4- [ [ (5S) -3- (3, 5-difluorophenyl) -5-vinyl-4H-isoxazole-5-carbonyl ] amino ] tetrahydrofuran-2-carboxylic acid methyl ester and herbicidal synergy thereof | 拜耳公司 | 2022-11-01 | — | — | CN | disclosed |