Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Desnitroimidacloprid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.60 |
| ▸ | CHRNA1 | P02708 | 4/20 | 0.58 |
| ▸ | CHRNA7 | P36544 | 4/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.53 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.52 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| Desnitroimidacloprid SCHEMBL6829628 | 0.98 | SMN1; SMN2 (0.61) | SMN1; SMN2CHRNA1CHRNA7ALDH1A1CHRNA3 | |
| Desnitroimidacloprid SCHEMBL10465062 | 0.97 | SMN1; SMN2 (0.60) | SMN1; SMN2CHRNA1CHRNA7ALDH1A1CHRNA3 | |
| SCHEMBL7496995 | 0.92 | CHRNA1 (0.63) | SMN1; SMN2CHRNA1CHRNA7ALDH1A1CHRNA3 | |
| SCHEMBL20572266 | 0.86 | SMN1; SMN2 (0.51) | SMN1; SMN2CHRNA1CHRNA7ALDH1A1CHRNA3 | |
| SCHEMBL21382443 | 0.82 | ALDH1A1 (0.62) | SMN1; SMN2CHRNA1CHRNA7ALDH1A1CHRNA3 | |
| Bromide SCHEMBL31141392 | 0.81 | ALDH1A1 (0.45) | SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL12704680 | 0.81 | ALDH1A1 (0.57) | SMN1; SMN2CHRNA1CHRNA7ALDH1A1CHRNA3 | |
| SCHEMBL7999218 | 0.81 | CYP11B1 (0.47) | SMN1; SMN2CHRNA1CHRNA7ALDH1A1CHRNA3 | |
| SCHEMBL7992725 | 0.81 | CYP11B1 (0.47) | SMN1; SMN2CHRNA1CHRNA7ALDH1A1CHRNA3 | |
| SCHEMBL7981584 | 0.81 | CHRM1 (0.43) | SMN1; SMN2CHRNA1CHRNA7ALDH1A1CHRNA3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0627165-B1 | Combined use of chemicals and microbials in cockroach control | BAYER AG (US) | 1998-08-12 | — | — | EP | disclosed |
| EP-0627165-A1 | Combined use of chemicals and microbials in cockroach control | Bayer Corporation (US) | 1994-12-07 | — | — | EP | disclosed |