Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | ACHE | P22303 | 2/20 | 0.37 |
| ▸ | TPMT | P51580 | 1/20 | 0.35 |
| ▸ | SELL | P14151 | 1/20 | 0.33 |
| ▸ | SELP | P16109 | 1/20 | 0.33 |
| ▸ | SELE | P16581 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.33 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.33 |
| ▸ | C1S | P09871 | 1/20 | 0.33 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.33 |
| ▸ | RAPGEF4 | Q8WZA2 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | CCR6 | P51684 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5044874 | 0.96 | — | — | |
| Water SCHEMBL28455457 | 0.93 | ALDH1A1 (0.44) | ALDH1A1TSHRACHETPMTSELL | |
| Bromide SCHEMBL28216885 | 0.93 | ALDH1A1 (0.44) | ALDH1A1TSHRACHETPMTSELL | |
| Fluoride SCHEMBL27907084 | 0.93 | ALDH1A1 (0.44) | ALDH1A1TSHRACHETPMTSELL | |
| Phosphine SCHEMBL27747999 | 0.93 | ALDH1A1 (0.44) | ALDH1A1TSHRACHETPMTSELL | |
| Hydrochloric Acid SCHEMBL27904014 | 0.93 | ALDH1A1 (0.44) | ALDH1A1TSHRACHETPMTSELL | |
| Hydrochloric Acid SCHEMBL4458024 | 0.90 | ALDH1A1 (0.42) | ALDH1A1TSHRACHETPMTSELL | |
| SCHEMBL13871115 | 0.89 | — | — | |
| Boric Acid SCHEMBL28918373 | 0.84 | ALDH1A1 (0.43) | ALDH1A1TSHRACHETPMTSELL | |
| Boric Acid SCHEMBL29420415 | 0.84 | ALDH1A1 (0.43) | ALDH1A1TSHRACHETPMTSELL |
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-106687466-A | Method for producing ethylenedialkylphosphinic acids, esters and salts, and the use thereof as flame retardants | 科莱恩塑料和涂料有限公司 | 2017-05-17 | — | — | CN | disclosed |