Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | ACHE | P22303 | 2/20 | 0.47 |
| ▸ | PGR | P06401 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.36 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3961756 | 0.87 | ALDH1A1 (0.48) | ALDH1A1GAAACHEPGRPTGS1 | |
| SCHEMBL4066419 | 0.84 | ALDH1A1 (0.48) | ALDH1A1GAAACHEPGRPTGS1 | |
| SCHEMBL77829 | 0.80 | ALDH1A1 (0.56) | ALDH1A1GAAACHEPGRPTGS1 | |
| Bromide SCHEMBL6851419 | 0.79 | ALDH1A1 (0.54) | ALDH1A1GAAACHEPGRPTGS1 | |
| SCHEMBL77692 | 0.72 | ACHE (0.44) | ALDH1A1ACHEATMKDM4EBCHE | |
| SCHEMBL5569950 | 0.70 | ALDH1A1 (0.60) | ALDH1A1GAAACHEPGRPTGS1 | |
| SCHEMBL2085785 | 0.69 | ALDH1A1 (0.50) | ALDH1A1GAAACHEPGRPTGS1 | |
| SCHEMBL92889 | 0.68 | ALDH1A1 (0.61) | ALDH1A1GAAACHEPGRPTGS1 | |
| SCHEMBL8927729 | 0.68 | ALDH1A1 (0.61) | ALDH1A1GAAACHEPGRPTGS1 | |
| SCHEMBL9324445 | 0.68 | ALDH1A1 (0.66) | ALDH1A1GAAACHEPGRPTGS1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009036235-A2 | INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (ACHE) | VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) | 2009-03-19 | — | — | WO | claimed |