Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN1A | P35498 | 2/20 | 0.55 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.55 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.50 |
| ▸ | GBA1 | P04062 | 1/20 | 0.48 |
| ▸ | F2 | P00734 | 1/20 | 0.48 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.48 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.48 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | SLC6A9 | P48067 | 6/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8645259 | 0.85 | SCN1A (0.56) | SCN1ASCN2ASCN3ACYP3A4KDM4E | |
| SCHEMBL2878189 | 0.81 | SCN1A (0.59) | SCN1ASCN2ASCN3ACYP3A4KDM4E | |
| SCHEMBL6006634 | 0.80 | CYP3A4 (0.69) | SCN1ASCN2ASCN3ACYP3A4KDM4E | |
| SCHEMBL1316389 | 0.79 | EDNRA (0.59) | KDM4ECYP1A2CYP2C19HSD17B10GBA1 | |
| SCHEMBL31303163 | 0.79 | EDNRA (0.59) | KDM4ECYP1A2CYP2C19HSD17B10GBA1 | |
| SCHEMBL3680789 | 0.79 | CYP3A4 (0.64) | SCN1ASCN2ASCN3ACYP3A4KDM4E | |
| SCHEMBL1316261 | 0.78 | NSD2 (0.54) | CYP3A4KDM4ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6006630 | 0.78 | SCN1A (0.59) | SCN1ASCN2ASCN3ACYP3A4KDM4E | |
| SCHEMBL207375 | 0.78 | SCN1A (0.59) | SCN1ASCN2ASCN3ACYP3A4KDM4E | |
| SCHEMBL4815020 | 0.78 | PKM (0.49) | KDM4EALDH1A1CA9EDNRBEDNRA |
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-1931460-A2 | STABILIZATION OF ORGANOGELS AND HYDROGELS BY AZIDE-ALKYNEÝ2+3¨CYCLOADDITION | The Scripps Research Institute (US) | 2008-06-18 | — | — | EP | disclosed |
| WO-2007027493-A2 | STABILIZATION OF ORGANOGELS AND HYDROGELS BY AZIDE-ALKYNE[2+3] CYCLOADDITION | THE SCRIPPS RESEARCH INSTITUTE (US) | 2007-03-08 | — | — | WO | disclosed |