Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.51 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.51 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.51 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.51 |
| ▸ | RARG | P13631 | 1/20 | 0.51 |
| ▸ | CNR1 | P21554 | 1/20 | 0.51 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.51 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.51 |
| ▸ | PPARA | Q07869 | 1/20 | 0.51 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.51 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.51 |
| ▸ | MME | P08473 | 3/20 | 0.43 |
| ▸ | ALPI | P09923 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9808993 | 1.00 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9808968 | 1.00 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9809025 | 0.84 | CYP1A2 (0.49) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9808999 | 0.84 | CYP1A2 (0.49) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9809017 | 0.84 | CYP1A2 (0.49) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9809009 | 0.82 | FCER2 (0.53) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9808987 | 0.82 | FCER2 (0.53) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9809018 | 0.82 | FNTA (0.40) | MMEANPEPSLC1A3SLC1A2SLC1A1 | |
| SCHEMBL9809054 | 0.82 | FNTA (0.40) | MMEANPEPSLC1A3SLC1A2SLC1A1 | |
| SCHEMBL9809032 | 0.82 | CYP1A2 (0.51) | 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 8 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 | claimed |
| EP-0390839-A1 | MERCAPTO-ACYLAMINO ACID ANTIHYPERTENSIVES | SCHERING CORPORATION (US) | 1990-10-10 | — | — | EP | claimed |
| EP-0322633-A1 | Mercapto-acylamino acid antihypertensives | SCHERING CORPORATION (US) | 1989-07-05 | — | — | EP | claimed |
| WO-1989005796-A1 | MERCAPTO-ACYLAMINO ACID ANTIHYPERTENSIVES | SCHERING CORPORATION (US) | 1989-06-29 | — | — | WO | claimed |
| 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 |
| EP-0322633-A1 | Mercapto-acylamino acid antihypertensives | SCHERING CORPORATION (US) | 1989-07-05 | — | — | EP | disclosed |
| WO-1989005796-A1 | MERCAPTO-ACYLAMINO ACID ANTIHYPERTENSIVES | SCHERING CORPORATION (US) | 1989-06-29 | — | — | WO | disclosed |