Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.73 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.73 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.73 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.73 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.73 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.73 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.73 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.73 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.73 |
| ▸ | RARG | P13631 | 1/20 | 0.73 |
| ▸ | CNR1 | P21554 | 1/20 | 0.73 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.73 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.73 |
| ▸ | PPARA | Q07869 | 1/20 | 0.73 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.73 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.73 |
| ▸ | MME | P08473 | 7/20 | 0.63 |
| ▸ | ACE | P12821 | 4/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.63 |
| ▸ | HPGD | P15428 | 1/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL3916076 | 1.00 | CYP1A2 (0.73) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7309885 | 1.00 | CYP1A2 (0.73) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL12657580 | 0.89 | CYP1A2 (0.70) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8165601 | 0.88 | CYP1A2 (0.80) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10956150 | 0.88 | CYP1A2 (0.80) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10806191 | 0.87 | MME (0.70) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10957779 | 0.87 | CYP3A4 (0.67) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7276817 | 0.86 | ACE (0.65) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10805767 | 0.85 | CYP2D6 (0.65) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| Ecadotril SCHEMBL48974 | 0.85 | CYP1A2 (1.00) | 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 10 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 |
| EP-0729936-B1 | Process for the synthesis of alpha substituted acrylic acids and N-(mercaptoacyl)amino acids | BIOPROJET SOC CIV (FR) | 1999-07-07 | — | — | EP | claimed |
| EP-0820439-A1 | 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 | SOCIETE CIVILE BIOPROJET (FR) | 1998-01-28 | — | — | EP | claimed |
| WO-1997029086-A1 | 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 | SOCIETE CIVILE BIOPROJET (FR) | 1997-08-14 | — | — | WO | claimed |
| EP-0729936-A1 | Process for the synthesis of alpha substituted acrylic acids and their application | SOCIETE CIVILE BIOPROJET (FR) | 1996-09-04 | — | — | EP | claimed |
| 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 | disclosed |
| EP-0729936-B1 | Process for the synthesis of alpha substituted acrylic acids and N-(mercaptoacyl)amino acids | BIOPROJET SOC CIV (FR) | 1999-07-07 | — | — | EP | disclosed |
| EP-0820439-A1 | 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 | SOCIETE CIVILE BIOPROJET (FR) | 1998-01-28 | — | — | EP | disclosed |
| WO-1997029086-A1 | 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 | SOCIETE CIVILE BIOPROJET (FR) | 1997-08-14 | — | — | WO | disclosed |
| EP-0729936-A1 | Process for the synthesis of alpha substituted acrylic acids and their application | SOCIETE CIVILE BIOPROJET (FR) | 1996-09-04 | — | — | EP | disclosed |