Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EDNRA | P25101 | 3/20 | 0.54 |
| ▸ | EDNRB | P24530 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | CES2 | O00748 | 2/20 | 0.47 |
| ▸ | CES1 | P23141 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6229779 | 1.00 | EDNRA (0.54) | EDNRAEDNRBTSHRCES2CES1 | |
| SCHEMBL6228156 | 1.00 | EDNRA (0.54) | EDNRAEDNRBTSHRCES2CES1 | |
| SCHEMBL9258771 | 1.00 | EDNRA (0.54) | EDNRAEDNRBTSHRCES2CES1 | |
| SCHEMBL7293698 | 1.00 | EDNRA (0.54) | EDNRAEDNRBTSHRCES2CES1 | |
| SCHEMBL8927247 | 0.98 | EDNRA (0.53) | EDNRAEDNRBTSHRCES2CES1 | |
| SCHEMBL7410333 | 0.84 | ELANE (0.50) | TSHREPHX1SMN1; SMN2MEN1TP53 | |
| SCHEMBL8503544 | 0.84 | BACE1 (0.52) | EDNRAEDNRBTSHRCES2CES1 | |
| SCHEMBL8856846 | 0.84 | BACE1 (0.52) | EDNRAEDNRBTSHRCES2CES1 | |
| SCHEMBL7141149 | 0.84 | BACE1 (0.52) | EDNRAEDNRBTSHRCES2CES1 | |
| SCHEMBL8577007 | 0.84 | PARP10 (0.48) | EDNRAEDNRBTSHRCES2CES1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014030106-A2 | PROCESS FOR PREPARATION OF OPTICALLY ACTIVE (2R,3S)-3-(4- METHOXYPHENYL)GLYCIDIC ACID METHYL ESTER AND CIS LACTAM AND USES THEREOF | UNIMARK REMEDIES LTD. (IN) | 2014-02-27 | — | — | WO | claimed |
| US-6521445-B1 | Stereoselective ester hydrolysis of racemic trans-3-(4-methoxyphenyl) glycidic acid ester using a hydrolase enzyme; resolution; diltiazem production | SEPRACOR, INC. | 2003-02-18 | — | — | US | disclosed |
| US-5274300-A | Patent withdrawn after O.G. published | SEPRACOR, INC. (US) | 1993-12-28 | — | — | US | disclosed |
| EP-0440723-A4 | PROCESS FOR PREPARING OPTICALLY ACTIVE GLYCIDATE ESTERS | — | 1992-05-20 | — | — | EP | disclosed |
| EP-0453330-A1 | Process for the preparation of (-) (2R,3S)-2,3-epoxy-3-(4-methoxyphenyl) propionic acid methylester and its enantiomer | SYNTHELABO (FR) | 1991-10-23 | — | — | EP | disclosed |
| EP-0440723-A1 | PROCESS FOR PREPARING OPTICALLY ACTIVE GLYCIDATE ESTERS. | SEPRACOR INC (US) | 1991-08-14 | — | — | EP | disclosed |
| EP-0430544-A1 | Process for resolving chiral intermediates used in making calcium channel blockers | E.R. SQUIBB & SONS, INC. (US) | 1991-06-05 | — | — | EP | disclosed |
| US-4963671-A | Process for resolving chiral intermediates used in making calcium channel blockers | E. R. SQUIBB & SONS, INC. (US) | 1990-10-16 | — | — | US | disclosed |
| WO-1990004643-A1 | PROCESS FOR PREPARING OPTICALLY ACTIVE GLYCIDATE ESTERS | SEPRACOR, INC. (US) | 1990-05-03 | — | — | WO | disclosed |