Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.43 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.43 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.43 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.43 |
| ▸ | CYSLTR2 | Q9NS75 | 5/20 | 0.39 |
| ▸ | CYSLTR1 | Q9Y271 | 5/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 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 | |
|---|---|---|---|---|
| Cpi 613 SCHEMBL1062218 | 0.90 | CYP2C19 (0.59) | CYP2C19PTGER1PTGER4PTGER3PTGER2 | |
| Cpi 613 SCHEMBL13333201 | 0.90 | CYP2C19 (0.59) | CYP2C19PTGER1PTGER4PTGER3PTGER2 | |
| SCHEMBL22299081 | 0.89 | CYP2C19 (0.58) | CYP2C19PTGER1PTGER4PTGER3PTGER2 | |
| SCHEMBL17381514 | 0.89 | CYP2C19 (0.58) | CYP2C19PTGER1PTGER4PTGER3PTGER2 | |
| SCHEMBL10307745 | 0.82 | CYP2C19 (0.50) | CYP2C19PTGER1PTGER4PTGER3PTGER2 | |
| SCHEMBL20395792 | 0.82 | CYP2C19 (0.63) | CYP2C19PTGER1PTGER4PTGER3PTGER2 | |
| SCHEMBL10307777 | 0.81 | CYP2C19 (0.52) | CYP2C19PTGER1PTGER4PTGER3PTGER2 | |
| SCHEMBL10454113 | 0.81 | CYP2C19 (0.46) | CYP2C19CYSLTR2CYSLTR1MAPTRXFP1 | |
| SCHEMBL13333202 | 0.81 | CYP2C19 (0.50) | CYP2C19PTGER1PTGER4PTGER3PTGER2 | |
| SCHEMBL16375392 | 0.80 | CYP1A2 (0.50) | CYP2C19PTGER1PTGER4PTGER3PTGER2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113717083-B | Preparation method of lipoic acid derivative 6- (benzylthio) -8- [ (hydroxyphenylmethyl) thio ] octanoic acid | 苏州富士莱医药股份有限公司 | 2022-02-18 | — | — | CN | claimed |
| CN-113717083-A | Preparation method of lipoic acid derivative 6- (benzylthio) -8- [ (hydroxyphenylmethyl) thio ] octanoic acid | 苏州富士莱医药股份有限公司 | 2021-11-30 | — | — | CN | claimed |
| CN-113717083-B | Preparation method of lipoic acid derivative 6- (benzylthio) -8- [ (hydroxyphenylmethyl) thio ] octanoic acid | 苏州富士莱医药股份有限公司 | 2022-02-18 | — | — | CN | disclosed |
| CN-113717083-B | Preparation method of lipoic acid derivative 6- (benzylthio) -8- [ (hydroxyphenylmethyl) thio ] octanoic acid | 苏州富士莱医药股份有限公司 | 2022-02-18 | — | — | CN | disclosed |
| CN-113717083-B | Preparation method of lipoic acid derivative 6- (benzylthio) -8- [ (hydroxyphenylmethyl) thio ] octanoic acid | 苏州富士莱医药股份有限公司 | 2022-02-18 | — | — | CN | disclosed |
| CN-113717083-A | Preparation method of lipoic acid derivative 6- (benzylthio) -8- [ (hydroxyphenylmethyl) thio ] octanoic acid | 苏州富士莱医药股份有限公司 | 2021-11-30 | — | — | CN | disclosed |
| CN-113717083-A | Preparation method of lipoic acid derivative 6- (benzylthio) -8- [ (hydroxyphenylmethyl) thio ] octanoic acid | 苏州富士莱医药股份有限公司 | 2021-11-30 | — | — | CN | disclosed |
| CN-113717083-A | Preparation method of lipoic acid derivative 6- (benzylthio) -8- [ (hydroxyphenylmethyl) thio ] octanoic acid | 苏州富士莱医药股份有限公司 | 2021-11-30 | — | — | CN | disclosed |