Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTRB1 | P17538 | 2/20 | 0.51 |
| ▸ | PPARA | Q07869 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.48 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.48 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.48 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.48 |
| ▸ | RARG | P13631 | 1/20 | 0.48 |
| ▸ | CNR1 | P21554 | 1/20 | 0.48 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.48 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.48 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.48 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL18576675 | 0.88 | CTRB1 (0.65) | CTRB1PPARACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4920658 | 0.88 | CTRB1 (0.50) | CTRB1PPARACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4920665 | 0.88 | CTRB1 (0.50) | CTRB1PPARACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL13556077 | 0.87 | CTRB1 (0.58) | CTRB1PPARACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9727172 | 0.83 | NLRP3 (0.48) | PPARACYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6958952 | 0.81 | CTSK (0.54) | CTRB1NPC1RAB9AALDH1A1ALOX15 | |
| SCHEMBL9727232 | 0.81 | LMNA (0.43) | PPARACYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9727233 | 0.81 | LMNA (0.43) | PPARACYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6890973 | 0.79 | PPARA (0.60) | PPARACYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL30629979 | 0.78 | ATM (0.53) | CTRB1PPARACYP1A2CYP3A4CYP2D6 |
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-0563153-B1 | N-(MERCAPTOALKYL)AMIDES | SCHERING CORP (US) | 1995-03-15 | — | — | EP | disclosed |
| EP-0543892-B1 | N-(MERCAPTOALKYL)UREAS AND CARBAMATES | SCHERING CORP (US) | 1994-11-23 | — | — | EP | disclosed |
| US-5356925-A | For cardiovascular and urogenital disorders | SCHERING CORPORATION (US) | 1994-10-18 | — | — | US | disclosed |
| EP-0563153-A1 | N-(MERCAPTOALKYL)AMIDES. | SCHERING CORP (US) | 1993-10-06 | — | — | EP | disclosed |
| US-5232920-A | For treating hypertension and congestive heart failure in mammals | SCHERING CORPORATION (US) | 1993-08-03 | — | — | US | disclosed |
| US-5173506-A | For treating hypertension, congestive heart failure, edema or urogenital disorders in mammals | SCHERING CORPORATION (US) | 1992-12-22 | — | — | US | disclosed |
| WO-1992011235-A1 | N-(MERCAPTOALKYL)AMIDES | SCHERING CORPORATION (US) | 1992-07-09 | — | — | WO | disclosed |
| WO-1992003410-A1 | N-(MERCAPTOALKYL)UREAS AND CARBAMATES | SCHERING CORPORATION (US) | 1992-03-05 | — | — | WO | disclosed |