Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | MMP12 | P39900 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | PTPN7 | P35236 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HMGCR | P04035 | 1/20 | 0.35 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.34 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28075262 | 1.00 | KCNH2 (0.41) | KCNH2GPR84FFAR1FFAR4MMP2 | |
| SCHEMBL1860208 | 0.80 | KCNH2 (0.41) | KCNH2GPR84FFAR1FFAR4MMP2 | |
| SCHEMBL7469709 | 0.78 | KCNH2 (0.50) | KCNH2GPR84FFAR1FFAR4MMP2 | |
| SCHEMBL1856283 | 0.75 | FFAR1 (0.55) | KCNH2GPR84FFAR1FFAR4MMP2 | |
| SCHEMBL1854038 | 0.75 | FFAR1 (0.55) | KCNH2GPR84FFAR1FFAR4MMP2 | |
| SCHEMBL1854843 | 0.75 | FFAR1 (0.55) | KCNH2GPR84FFAR1FFAR4MMP2 | |
| SCHEMBL2233459 | 0.73 | FFAR1 (0.52) | KCNH2GPR84FFAR1FFAR4MMP2 | |
| SCHEMBL10795164 | 0.71 | KCNH2 (0.48) | KCNH2GPR84FFAR1FFAR4MMP2 | |
| SCHEMBL7685513 | 0.71 | GPR84 (0.39) | KCNH2GPR84FFAR1FFAR4MMP2 | |
| SCHEMBL7680519 | 0.71 | KCNH2 (0.48) | KCNH2GPR84FFAR1FFAR4MMP2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105732245-A | Method for preparing C2-position alkynyl compound by catalyzing thiamine type compound desulfuration through cuprous halides | 湖南理工学院 | 2016-07-06 | — | — | CN | disclosed |