Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | PTPRC | P08575 | 2/20 | 0.33 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.33 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.32 |
| ▸ | RARA | P10276 | 2/20 | 0.32 |
| ▸ | RARB | P10826 | 2/20 | 0.32 |
| ▸ | RARG | P13631 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.30 |
| ▸ | FEN1 | P39748 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL4590632 | 0.83 | — | — | |
| SCHEMBL28668871 | 0.80 | TRPA1 (0.37) | TRPA1BRD4PTPRCPDCD1CD274 | |
| SCHEMBL14134813 | 0.68 | KDM4E (0.44) | PTPRCHSD17B1PTPN1KMT2AALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL4591099 | 0.66 | ALOX5 (0.46) | BRD4RARARARBRARG | |
| SCHEMBL5551523 | 0.64 | BACE1 (0.51) | PTPN1HTTMEN1KMT2AALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL4604807 | 0.64 | — | — | |
| SCHEMBL9516471 | 0.64 | HSD17B1 (0.38) | TRPA1PTPRCHSD17B1ALOX5APFEN1 | |
| SCHEMBL3921828 | 0.64 | ALDH1A1 (0.55) | MEN1KMT2AALDH1A1GAA | |
| SCHEMBL9289360 | 0.63 | L3MBTL1 (0.50) | TRPA1PTPRCPDCD1CD274PTPN1 | |
| SCHEMBL10916725 | 0.63 | HSD17B1 (0.45) | HSD17B1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105481850-A | Tetrahydroberberine derivative and application thereof | CHENGDU BASS KERRY BIOLOGICAL TECH CO LTD | 2016-04-13 | — | — | CN | disclosed |
| CN-102516042-A | Method for synthesizing 3,4,5-trimethoxylbenzyl chloride | TAICANG YUNTONG CHEMICAL FACTORY | 2012-06-27 | — | — | CN | disclosed |
| EP-0028279-B1 | PHTHALIDE-ISOQUINOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN MEDICAMENTS | CALAIRE CHIMIE S.A. (FR) | 1983-02-16 | — | — | EP | disclosed |
| EP-0028279-A1 | Phthalide-isoquinoline derivatives, their preparation and their use in medicaments | CALAIRE CHIMIE S.A. (FR) | 1981-05-13 | — | — | EP | disclosed |