Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.46 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.46 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7999496 | 0.86 | SMN1; SMN2 (0.51) | SMN1; SMN2CHRNA1CHRNA3CHRNA7 | |
| SCHEMBL7999495 | 0.86 | SMN1; SMN2 (0.51) | SMN1; SMN2CHRNA1CHRNA3CHRNA7 | |
| SCHEMBL9307704 | 0.86 | SMN1; SMN2 (0.60) | SMN1; SMN2CHRNA1CHRNA3CHRNA7CHRM1 | |
| SCHEMBL7995326 | 0.79 | CHRNA1 (0.52) | SMN1; SMN2CHRNA1CHRNA3CHRNA7 | |
| SCHEMBL7995925 | 0.79 | SMN1; SMN2 (0.57) | SMN1; SMN2CHRNA1CHRNA3CHRNA7 | |
| SCHEMBL7995928 | 0.79 | SMN1; SMN2 (0.57) | SMN1; SMN2CHRNA1CHRNA3CHRNA7 | |
| SCHEMBL9306354 | 0.79 | CHRNB2 (0.47) | CHRM1 | |
| SCHEMBL7993923 | 0.77 | CHRNA1 (0.49) | SMN1; SMN2CHRNA1CHRNA3CHRNA7 | |
| SCHEMBL9070367 | 0.75 | SMN1; SMN2 (0.56) | SMN1; SMN2CHRNA1CHRNA3CHRNA7 | |
| SCHEMBL9070365 | 0.75 | SMN1; SMN2 (0.56) | SMN1; SMN2CHRNA1CHRNA3CHRNA7 |
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 |
|---|---|---|---|---|---|---|---|
| US-5360906-A | N-(3-halo-5-isoxazolylmethyl)-2-nitromethylene- and -2-nitroimino-imidazolines and pyrimidines; aminoalkylation, cyclization | SHELL RESEARCH LIMITED (GB) | 1994-11-01 | — | — | US | disclosed |
| EP-0555931-A1 | Isoxazole derivatives and their use as pesticides | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1993-08-18 | — | — | EP | disclosed |