Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EDNRB | P24530 | 16/20 | 0.49 |
| ▸ | EDNRA | P25101 | 16/20 | 0.49 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.49 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.49 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL570658 | 0.98 | EDNRB (0.50) | EDNRBEDNRANR1I2KCNE1KCNQ1 | |
| SCHEMBL1067633 | 0.98 | EDNRB (0.50) | EDNRBEDNRANR1I2KCNE1KCNQ1 | |
| SCHEMBL570417 | 0.98 | EDNRB (0.50) | EDNRBEDNRANR1I2KCNE1KCNQ1 | |
| SCHEMBL28227186 | 0.96 | EDNRB (0.49) | EDNRBEDNRANR1I2KCNE1KCNQ1 | |
| SCHEMBL28079222 | 0.96 | EDNRB (0.49) | EDNRBEDNRANR1I2KCNE1KCNQ1 | |
| SCHEMBL28079191 | 0.96 | EDNRB (0.49) | EDNRBEDNRANR1I2KCNE1KCNQ1 | |
| Valine SCHEMBL17965930 | 0.86 | SLC7A5 (0.44) | EDNRBEDNRANR1I2KCNE1KCNQ1 | |
| SCHEMBL4440829 | 0.86 | EDNRB (0.40) | EDNRBEDNRANR1I2KCNE1KCNQ1 | |
| SCHEMBL4436073 | 0.86 | EDNRB (0.40) | EDNRBEDNRANR1I2KCNE1KCNQ1 | |
| SCHEMBL14886539 | 0.85 | EDNRB (0.46) | EDNRBEDNRANR1I2KCNE1KCNQ1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106699626-B | A kind of preparation method of 2- hydroxy-3-methoxy -3,3- diphenylprop hydrochlorate raceme | 辽宁远大诺康生物制药有限公司 | 2019-08-16 | — | — | CN | disclosed |
| CN-105801404-B | A kind of S-2- hydroxy-3-methoxy -3,3- diphenyl-propionic acid and preparation method thereof | 辽宁远大诺康生物制药有限公司 | 2019-01-08 | — | — | CN | disclosed |
| CN-106699626-A | Method for preparing 2-hydroxy-3-methoxy-3,3,-diphenyl propionate racemate | 辽宁远大诺康生物制药有限公司 | 2017-05-24 | — | — | CN | disclosed |
| CN-105801404-A | S-2-hydroxy-3-methoxy-3, 3-dibenzylpropionic acid and preparation method thereof | 辽宁诺康生物制药有限责任公司 | 2016-07-27 | — | — | CN | disclosed |