Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.84 |
| ▸ | TP53 | P04637 | 1/20 | 0.84 |
| ▸ | TSHR | P16473 | 5/20 | 0.68 |
| ▸ | CES1 | P23141 | 6/20 | 0.50 |
| ▸ | CES2 | O00748 | 5/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 5/20 | 0.39 |
| ▸ | PPARD | Q03181 | 5/20 | 0.39 |
| ▸ | PPARA | Q07869 | 5/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.39 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.39 |
| ▸ | TLR2 | O60603 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | FABP4 | P15090 | 2/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.39 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.39 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 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 | |
|---|---|---|---|---|
| SCHEMBL3163 | 0.92 | — | — | |
| SCHEMBL27570955 | 0.89 | — | — | |
| Ammonia Solution, Strong SCHEMBL27949723 | 0.89 | — | — | |
| Water SCHEMBL27615437 | 0.89 | — | — | |
| SCHEMBL11696114 | 0.89 | — | — | |
| Fluoride SCHEMBL27538834 | 0.89 | — | — | |
| Methylamine SCHEMBL27769068 | 0.86 | ALDH1A1 (0.89) | ALDH1A1TP53TSHRCES1CES2 | |
| Methylene Chloride SCHEMBL27667462 | 0.86 | ALDH1A1 (0.89) | ALDH1A1TP53TSHRCES1CES2 | |
| Acetone SCHEMBL27833869 | 0.86 | ALDH1A1 (0.89) | ALDH1A1TP53TSHRCES1CES2 | |
| Benzene SCHEMBL27738903 | 0.84 | ALDH1A1 (0.84) | ALDH1A1TP53TSHRCES1CES2 |
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-107628943-A | A kind of preparation method of 5 chlorine valeric chloride | 宁波科诺华化工有限公司 | 2018-01-26 | — | — | CN | disclosed |