Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYSLTR1 | Q9Y271 | 3/20 | 0.49 |
| ▸ | CYSLTR2 | Q9NS75 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | GPBAR1 | Q8TDU6 | 3/20 | 0.42 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL153778 | 0.89 | CYSLTR1 (0.53) | CYSLTR1CYSLTR2CYP1A2GPBAR1PDE10A | |
| SCHEMBL29405396 | 0.89 | CYSLTR1 (0.53) | CYSLTR1CYSLTR2CYP1A2GPBAR1PDE10A | |
| Iodide SCHEMBL28612904 | 0.87 | CYSLTR1 (0.52) | CYSLTR1CYSLTR2CYP1A2GPBAR1PDE10A | |
| Ammonia Solution, Strong SCHEMBL28282609 | 0.87 | CYSLTR1 (0.52) | CYSLTR1CYSLTR2CYP1A2GPBAR1PDE10A | |
| Hydrochloric Acid SCHEMBL28245253 | 0.87 | CYSLTR1 (0.52) | CYSLTR1CYSLTR2CYP1A2GPBAR1PDE10A | |
| Hydrochloric Acid SCHEMBL5197438 | 0.87 | CYSLTR1 (0.52) | CYSLTR1CYSLTR2CYP1A2GPBAR1PDE10A | |
| Hydrazine SCHEMBL28309928 | 0.85 | CYSLTR1 (0.50) | CYSLTR1CYSLTR2CYP1A2GPBAR1PDE10A | |
| Quinoline SCHEMBL28296659 | 0.79 | ALDH1A1 (0.61) | CYSLTR1CYSLTR2CYP1A2GPBAR1PDE10A | |
| Chlorobenzene SCHEMBL28002006 | 0.77 | PDE10A (0.56) | CYP1A2PDE10AMEN1GAAMAPT | |
| SCHEMBL10546227 | 0.76 | GPBAR1 (0.47) | CYSLTR1CYSLTR2CYP1A2GPBAR1PDE10A |
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 |
|---|---|---|---|---|---|---|---|
| CN-104529889-B | A kind of dehydration C- alkylations of heterocyclic methyl compound | 温州大学 | 2018-09-04 | — | — | CN | disclosed |
| CN-104529889-A | Dehydration C-alkylation method for heterocyclic methyl compound | UNIV WENZHOU | 2015-04-22 | — | — | CN | disclosed |