Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 5/20 | 0.35 |
| ▸ | NR1H3 | Q13133 | 5/20 | 0.35 |
| ▸ | CNR2 | P34972 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16641011 | 0.97 | HTT (0.35) | HTTNR1H2NR1H3CNR2ALDH1A1 | |
| SCHEMBL16640935 | 0.97 | HTT (0.38) | HTTNR1H2NR1H3CNR2ALDH1A1 | |
| SCHEMBL16640934 | 0.95 | HTT (0.36) | HTTNR1H2NR1H3CNR2ALDH1A1 | |
| SCHEMBL16640937 | 0.88 | HTT (0.32) | HTT | |
| SCHEMBL142324 | 0.86 | ALDH1A1 (0.40) | ALDH1A1CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL19828106 | 0.86 | ALDH1A1 (0.40) | ALDH1A1CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL15195722 | 0.86 | ALDH1A1 (0.40) | ALDH1A1CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL15856896 | 0.86 | ALDH1A1 (0.40) | ALDH1A1CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL16640965 | 0.85 | — | — | |
| SCHEMBL19901212 | 0.85 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150105493-A1 | EPOXY COMPOUND HAVING ALKOXY SILYL GROUP, COMPOSITION COMPRISING SAME, CURED PRODUCT, USE THEREOF AND METHOD FOR PREPARING EPOXY COMPOUND HAVING ALKOXY SILYL GROUP | KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) | 2015-04-16 | — | — | US | disclosed |