Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | PPARG | P37231 | 8/20 | 0.44 |
| ▸ | PPARA | Q07869 | 8/20 | 0.44 |
| ▸ | CTSK | P43235 | 4/20 | 0.44 |
| ▸ | CTSS | P25774 | 3/20 | 0.44 |
| ▸ | PPARD | Q03181 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | REN | P00797 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9808970 | 0.87 | PPARA (0.57) | CYP1A2CYP2C9CYP2C19HTTPPARG | |
| SCHEMBL9808989 | 0.87 | PPARA (0.57) | CYP1A2CYP2C9CYP2C19HTTPPARG | |
| SCHEMBL19656625 | 0.83 | CYP1A2 (0.48) | CYP1A2CYP2C9CYP2C19HTTPPARG | |
| SCHEMBL19164900 | 0.81 | CYP1A2 (0.48) | CYP1A2CYP2C9CYP2C19HTTPPARG | |
| SCHEMBL19202261 | 0.81 | CYP1A2 (0.48) | CYP1A2CYP2C9CYP2C19HTTPPARG | |
| SCHEMBL9809008 | 0.80 | SMN1; SMN2 (0.52) | CYP1A2CYP2C9CYP2C19HTTPPARG | |
| SCHEMBL8893616 | 0.80 | CYP1A2 (0.47) | CYP1A2CYP2C9CYP2C19HTTPPARG | |
| SCHEMBL6623780 | 0.79 | CTSK (0.63) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL6623782 | 0.79 | CTSK (0.63) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL5717952 | 0.79 | CTSK (0.63) | CYP1A2CYP2C9CYP2C19HTTCTSK |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0322633-B1 | MERCAPTO-ACYLAMINO ACID ANTIHYPERTENSIVES | SCHERING CORPORATION (US) | 1991-05-22 | — | — | EP | disclosed |
| EP-0390839-A1 | MERCAPTO-ACYLAMINO ACID ANTIHYPERTENSIVES | SCHERING CORPORATION (US) | 1990-10-10 | — | — | EP | disclosed |
| WO-1989005796-A1 | MERCAPTO-ACYLAMINO ACID ANTIHYPERTENSIVES | SCHERING CORPORATION (US) | 1989-06-29 | — | — | WO | disclosed |