Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 8/20 | 0.44 |
| ▸ | CES1 | P23141 | 10/20 | 0.42 |
| ▸ | CES2 | O00748 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.39 |
| ▸ | LPAR3 | Q9UBY5 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Heptane SCHEMBL7077193 | 0.97 | TSHR (0.47) | FAAHCES1CES2MEN1CYP1A2 | |
| Octanol SCHEMBL7215014 | 0.87 | LMNA (0.62) | FAAHCES1CES2MEN1CYP1A2 | |
| Propanol SCHEMBL9236962 | 0.81 | ALDH1A1 (0.35) | MEN1KMT2AHSD17B10TSHRSMN1; SMN2 | |
| Alcohol SCHEMBL6956243 | 0.80 | — | — | |
| Hexane SCHEMBL9714516 | 0.80 | FAAH (0.48) | FAAHCES1CES2MEN1CYP1A2 | |
| Methyl Alcohol SCHEMBL365291 | 0.79 | — | — | |
| SCHEMBL9852 | 0.79 | — | — | |
| SCHEMBL7111729 | 0.79 | — | — | |
| SCHEMBL9179320 | 0.79 | — | — | |
| SCHEMBL23824965 | 0.77 | CES2 (0.52) | CES1CES2LPAR1LPAR3 |
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-109612818-A | A kind of extractant and detection method for the detection of elastomer modified asphalt waterproof roll solubles content | 湖北建研科峰工程质量检测有限公司 | 2019-04-12 | — | — | CN | disclosed |