Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.33 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9496343 | 1.00 | CYP3A4 (0.36) | CYP3A4CYP2D6CYP2C9CYP2C19TSHR | |
| SCHEMBL9495372 | 0.83 | CYP3A4 (0.36) | CYP3A4CYP2D6CYP2C9CYP2C19TSHR | |
| SCHEMBL9495364 | 0.83 | CYP3A4 (0.36) | CYP3A4CYP2D6CYP2C9CYP2C19TSHR | |
| SCHEMBL9495248 | 0.81 | OPRL1 (0.38) | CYP3A4CYP2D6CYP2C9CYP2C19TSHR | |
| SCHEMBL9495256 | 0.81 | OPRL1 (0.38) | CYP3A4CYP2D6CYP2C9CYP2C19TSHR | |
| SCHEMBL9495434 | 0.79 | OPRL1 (0.36) | CYP3A4CYP2D6CYP2C9CYP2C19TSHR | |
| SCHEMBL9495428 | 0.79 | OPRL1 (0.36) | CYP3A4CYP2D6CYP2C9CYP2C19TSHR | |
| SCHEMBL9498508 | 0.78 | OPRL1 (0.36) | CYP3A4CYP2D6CYP2C9CYP2C19TSHR | |
| SCHEMBL10511627 | 0.78 | OPRL1 (0.36) | CYP3A4CYP2D6CYP2C9CYP2C19TSHR | |
| SCHEMBL9498501 | 0.78 | OPRL1 (0.36) | CYP3A4CYP2D6CYP2C9CYP2C19TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0306505-B1 | ACETYLENE DERIVATIVES AS COMPONENTS OF LIQUID CRYSTAL PHASES | MERCK PATENT GmbH (DE) | 1993-03-24 | — | — | EP | disclosed |
| US-5068053-A | Liquid crystals for optical apparatus | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-11-26 | — | — | US | disclosed |
| EP-0306505-A1 | ACETYLENE DERIVATIVES AS COMPONENTS OF LIQUID CRYSTAL PHASES. | MERCK PATENT GMBH (DE) | 1989-03-15 | — | — | EP | disclosed |
| WO-1988007523-A1 | ACETYLENE DERIVATIVES AS COMPONENTS OF LIQUID CRYSTAL PHASES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1988-10-06 | — | — | WO | disclosed |