Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.73 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.65 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.65 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.37 |
| ▸ | ERCC4 | Q92889 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9408584 | 1.00 | SMN1; SMN2 (0.73) | SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1 | |
| 2-(Nitromethylene)Imidazolidine SCHEMBL28246186 | 0.94 | SMN1; SMN2 (0.65) | SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1 | |
| SCHEMBL10684318 | 0.93 | CHRNA1 (0.74) | SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1 | |
| SCHEMBL9408699 | 0.93 | CHRNA1 (0.74) | SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1 | |
| Pyridine SCHEMBL28145150 | 0.91 | SMN1; SMN2 (0.66) | SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1 | |
| SCHEMBL9408727 | 0.88 | SMN1; SMN2 (0.68) | SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1 | |
| SCHEMBL9408729 | 0.88 | SMN1; SMN2 (0.68) | SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1 | |
| SCHEMBL28398560 | 0.87 | SMN1; SMN2 (0.67) | SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1 | |
| SCHEMBL9408635 | 0.87 | SMN1; SMN2 (0.67) | SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1 | |
| SCHEMBL9408632 | 0.87 | SMN1; SMN2 (0.67) | SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106518885-B | 1,3- diazacyclos and quaternized pyridinium salt compound and its midbody compound, preparation method and application | 云南大学 | 2018-10-16 | — | — | CN | disclosed |
| CN-106518885-A | 1,3-diazacyclopyridine quaternary ammonium salt compound, intermediate compound thereof as well as preparation methods and applications of compounds | 云南大学 | 2017-03-22 | — | — | CN | disclosed |
| EP-0623601-A1 | N-(3-Fluorobenzyl)heterocyclic derivatives and their use as pesticides | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1994-11-09 | — | — | EP | disclosed |