Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.39 |
| ▸ | ANPEP | P15144 | 2/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.32 |
| ▸ | SAT1 | P21673 | 2/20 | 0.32 |
| ▸ | ADH1B | P00325 | 1/20 | 0.32 |
| ▸ | ADH1C | P00326 | 1/20 | 0.32 |
| ▸ | ADH1A | P07327 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA3 | P07451 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL24765687 | 0.91 | TSHR (0.48) | CYP2C19TSHRALDH1A1MEN1GLA | |
| SCHEMBL17541818 | 0.88 | TSHR (0.50) | CYP2C19TSHRALDH1A1MEN1GLA | |
| SCHEMBL1834670 | 0.88 | TSHR (0.50) | CYP2C19TSHRALDH1A1MEN1GLA | |
| SCHEMBL170842 | 0.87 | — | — | |
| SCHEMBL10045260 | 0.87 | CYP2C19 (0.45) | CYP2C19TSHRALDH1A1MEN1GLA | |
| Hydrochloric Acid SCHEMBL6105168 | 0.85 | — | — | |
| Ammonia Solution, Strong SCHEMBL11464205 | 0.85 | — | — | |
| SCHEMBL2478778 | 0.84 | HRH4 (0.42) | CYP2C19TSHRALDH1A1MEN1GLA | |
| SCHEMBL10045263 | 0.83 | CYP2C19 (0.65) | CYP2C19TSHRALDH1A1MEN1GLA | |
| SCHEMBL271458 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020047021-A1 | MULTIPLE CHARGED IONIC COMPOUNDS DERIVED FROM POLYAMINES AND COMPOSITIONS THEREOF AND METHODS OF PREPARATION THEREOF | ECOLAB USA INC. (US) | 2020-03-05 | — | — | WO | disclosed |