Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.58 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.58 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.58 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.58 |
| ▸ | RARG | P13631 | 1/20 | 0.58 |
| ▸ | CNR1 | P21554 | 1/20 | 0.58 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.58 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.58 |
| ▸ | PPARA | Q07869 | 1/20 | 0.58 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.58 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.58 |
| ▸ | CPA1 | P15085 | 7/20 | 0.56 |
| ▸ | CPA3 | P15088 | 3/20 | 0.56 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.56 |
| ▸ | CPB1 | P15086 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL838962 | 1.00 | CYP1A2 (0.63) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL838961 | 1.00 | CYP1A2 (0.63) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL6572922 | 0.98 | CYP1A2 (0.61) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL6572923 | 0.98 | CYP1A2 (0.61) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| Benzoquinone SCHEMBL28513425 | 0.94 | CYP1A2 (0.56) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8861587 | 0.91 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7319468 | 0.91 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6572920 | 0.87 | CYP1A2 (0.55) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6573900 | 0.87 | CYP1A2 (0.55) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9808996 | 0.87 | CYP1A2 (0.55) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0820439-B1 | METHOD FOR THE ASYMMETRICAL SYNTHESIS OF S-ACYLATED DERIVATIVES OF 2-MERCAPTOMETHYL 3-PHENYL PROPANOIC ACID, AND USE THEREOF FOR SYNTHESISING N-(MERCAPTOACYL) AMINO ACID DERIVATIVES | BIOPROJET SOC CIV (FR) | 2000-05-03 | — | — | EP | claimed |
| US-6013829-A | REDUCING A MALONIC DIESTER, HYDRIDING TO OBTAIN A DIOL, ACETYLATING TO OBTAIN A MONOESTER, OXIDATION, SAPONIFICATION AND THIOACYLATING; ENZYME INHIBITORS; PROTEASES; OPTICS; ANTISECRETORY AND HYPOTENSIVE AGENTS | SOCIETE CIVILE BIOPROJET (FR) | 2000-01-11 | — | — | US | claimed |
| JP-11228532-A | — | — | None | — | — | JP | disclosed |
| EP-0916654-B1 | SULFONIC ESTER DERIVATIVES, PROCESS FOR PREPARING THE SAME, AND USE THEREOF | KANEKA CORP (JP) | 2005-02-23 | — | — | EP | disclosed |
| US-6410773-B1 | OPTICAL ACTIVE MATERIAL; ENKEPHALINASE INHIBITORS; HYPOTENSIVE AGENTS | KANEKA CORPORATION (JP) | 2002-06-25 | — | — | US | disclosed |
| US-6121477-A | Sulfonic ester derivatives, process for preparing the same, and use thereof | KANEKA CORPORATION (JP) | 2000-09-19 | — | — | US | disclosed |
| US-6013829-A | REDUCING A MALONIC DIESTER, HYDRIDING TO OBTAIN A DIOL, ACETYLATING TO OBTAIN A MONOESTER, OXIDATION, SAPONIFICATION AND THIOACYLATING; ENZYME INHIBITORS; PROTEASES; OPTICS; ANTISECRETORY AND HYPOTENSIVE AGENTS | SOCIETE CIVILE BIOPROJET (FR) | 2000-01-11 | — | — | US | disclosed |
| JP-H11228532-A | PRODUCTION OF OPTICALLY ACTIVE 2-ACETYLTHIOMETHYL-3-PHENYLPROPIONIC ACID | AJINOMOTO CO INC | 1999-08-24 | — | — | JP | disclosed |
| EP-0916654-A1 | SULFONIC ESTER DERIVATIVES, PROCESS FOR PREPARING THE SAME, AND USE THEREOF | KANEKA CORPORATION (JP) | 1999-05-19 | — | — | EP | disclosed |
| US-5219886-A | Cardiovascular disorders, analgesics, enzyme inhibitors | SCHERING CORPORATION (US) | 1993-06-15 | — | — | US | disclosed |
| EP-0393441-B1 | MERCAPTO-ACYLAMINO ACIDS | SCHERING CORPORATION (US) | 1993-05-26 | — | — | EP | disclosed |
| EP-0467957-A1 | MERCAPTO-ACYLAMINO ACIDS | SCHERING CORPORATION (US) | 1992-01-29 | — | — | EP | disclosed |
| EP-0393441-A1 | Mercapto-acylamino acids | SCHERING CORPORATION (US) | 1990-10-24 | — | — | EP | disclosed |
| WO-1990012003-A1 | MERCAPTO-ACYLAMINO ACIDS | SCHERING CORPORATION (US) | 1990-10-18 | — | — | WO | disclosed |