Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | KIF11 | P52732 | 3/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.37 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2283147 | 0.81 | MAPT (0.48) | CYP2D6CYP1A2MAPTKMT2ACYP2C19 | |
| SCHEMBL27596019 | 0.81 | MAPT (0.48) | CYP2D6CYP1A2MAPTKMT2ACYP2C19 | |
| SCHEMBL29118559 | 0.81 | KMT2A (0.48) | CYP2D6CYP1A2MAPTKMT2ACYP2C19 | |
| SCHEMBL16028069 | 0.80 | MAPT (0.47) | CYP2D6CYP1A2MAPTKMT2ACYP2C19 | |
| SCHEMBL10518614 | 0.80 | MAPT (0.47) | CYP2D6CYP1A2MAPTKMT2ACYP2C19 | |
| SCHEMBL29118554 | 0.79 | MAPT (0.46) | CYP2D6CYP1A2MAPTKMT2ACYP2C19 | |
| SCHEMBL7619909 | 0.79 | SLC6A2 (0.48) | CYP2D6CYP1A2MAPTKMT2ACYP2C19 | |
| SCHEMBL27838486 | 0.79 | MAPT (0.46) | CYP2D6CYP1A2MAPTKMT2ACYP2C19 | |
| SCHEMBL31220603 | 0.79 | MAPT (0.37) | CYP2D6CYP1A2MAPTKMT2ACYP2C19 | |
| SCHEMBL15269001 | 0.78 | ALDH1A1 (0.45) | MAPTKMT2AKIF11LMNAKDM4E |
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-112714764-A | 3- (2-thienyl) -5- (trifluoromethyl) -1,2, 4-oxadiazole derivatives as agrochemical fungicides | 先正达农作物保护股份公司 | 2021-04-27 | — | — | CN | disclosed |