Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA3 | P32297 | 7/20 | 0.64 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.64 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | CHRNB2 | P17787 | 7/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 7/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 6/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9217051 | 1.00 | CHRNA3 (0.64) | CHRNA3CHRNA1CHRNA7SMN1; SMN2CHRNB2 | |
| SCHEMBL6852000 | 0.93 | SMN1; SMN2 (0.63) | CHRNA3CHRNA1CHRNA7SMN1; SMN2CHRNB2 | |
| SCHEMBL6852003 | 0.93 | SMN1; SMN2 (0.63) | CHRNA3CHRNA1CHRNA7SMN1; SMN2CHRNB2 | |
| SCHEMBL9217877 | 0.85 | CHRNA3 (0.47) | CHRNA3CHRNA1CHRNA7SMN1; SMN2CHRNB2 | |
| SCHEMBL9217870 | 0.85 | CHRNA3 (0.47) | CHRNA3CHRNA1CHRNA7SMN1; SMN2CHRNB2 | |
| SCHEMBL9219734 | 0.82 | CHRNA1 (0.44) | CHRNA3CHRNA1CHRNA7SMN1; SMN2CHRNB2 | |
| SCHEMBL9215388 | 0.82 | CHRNB2 (0.47) | CHRNA3CHRNA1CHRNA7SMN1; SMN2CHRNB2 | |
| SCHEMBL9215391 | 0.82 | CHRNB2 (0.47) | CHRNA3CHRNA1CHRNA7SMN1; SMN2CHRNB2 | |
| SCHEMBL9219737 | 0.82 | CHRNA1 (0.44) | CHRNA3CHRNA1CHRNA7SMN1; SMN2CHRNB2 | |
| SCHEMBL888465 | 0.78 | CHRNA1 (1.00) | CHRNA3CHRNA1CHRNA7SMN1; SMN2CHRNB2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0369526-B1 | Nitromethylene compounds, their preparation and their use as pesticides | SHELL INT RESEARCH (NL) | 1995-07-26 | — | — | EP | disclosed |
| WO-1994022851-A1 | DIHALONITROMETHYL HETEROCYCLES AND THEIR USE AS PESTICIDES | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 1994-10-13 | — | — | WO | disclosed |
| US-5039686-A | Insecticides | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 1991-08-13 | — | — | US | disclosed |
| EP-0369526-A2 | Nitromethylene compounds, their preparation and their use as pesticides | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1990-05-23 | — | — | EP | disclosed |