Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 3/20 | 0.52 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.47 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.47 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | LTA4H | P09960 | 3/20 | 0.45 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9563851 | 1.00 | RARB (0.52) | RARBNR5A1CYP2D6CYP3A4PTPN11 | |
| SCHEMBL9563922 | 1.00 | RARB (0.52) | RARBNR5A1CYP2D6CYP3A4PTPN11 | |
| SCHEMBL9563748 | 1.00 | RARB (0.52) | RARBNR5A1CYP2D6CYP3A4PTPN11 | |
| SCHEMBL9563701 | 1.00 | RARB (0.52) | RARBNR5A1CYP2D6CYP3A4PTPN11 | |
| SCHEMBL9563826 | 1.00 | RARB (0.52) | RARBNR5A1CYP2D6CYP3A4PTPN11 | |
| SCHEMBL9493399 | 0.98 | NR5A1 (0.51) | RARBNR5A1CYP2D6CYP3A4PTPN11 | |
| SCHEMBL9493464 | 0.98 | NR5A1 (0.51) | RARBNR5A1CYP2D6CYP3A4PTPN11 | |
| SCHEMBL9563824 | 0.98 | CYP2D6 (0.50) | RARBNR5A1CYP2D6CYP3A4PTPN11 | |
| SCHEMBL9493279 | 0.98 | NR5A1 (0.51) | RARBNR5A1CYP2D6CYP3A4PTPN11 | |
| SCHEMBL9493346 | 0.98 | NR5A1 (0.51) | RARBNR5A1CYP2D6CYP3A4PTPN11 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5273680-A | A chiral tilted smectic liquid crystal based on terphenyls | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-12-28 | — | — | US | disclosed |