Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.53 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | PPARG | P37231 | 1/20 | 0.46 |
| ▸ | PPARD | Q03181 | 1/20 | 0.46 |
| ▸ | PPARA | Q07869 | 1/20 | 0.46 |
| ▸ | RARB | P10826 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.43 |
| ▸ | THRA | P10827 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL12954611 | 0.95 | CYP2D6 (0.54) | ESR1CYP2D6CYP3A4PPARGPPARD | |
| SCHEMBL12972530 | 0.90 | RARB (0.54) | ESR1PTPN11CYP2D6CYP3A4PPARG | |
| SCHEMBL9399352 | 0.89 | RARB (0.55) | ESR1PTPN11CYP3A4RARBPTPN1 | |
| SCHEMBL14176647 | 0.87 | PTPN11 (0.54) | ESR1PTPN11PPARGPPARDPPARA | |
| SCHEMBL12165921 | 0.83 | ESR1 (0.46) | ESR1CYP2D6CYP3A4RARBHRH3 | |
| SCHEMBL12428 | 0.82 | SMN1; SMN2 (0.54) | ESR1THRBKDM4EALDH1A1MAPT | |
| SCHEMBL6705679 | 0.82 | ESR1 (0.54) | ESR1CYP2D6CYP3A4PPARGPPARD | |
| SCHEMBL30630148 | 0.82 | ESR1 (0.54) | ESR1CYP2D6CYP3A4PPARGPPARD | |
| SCHEMBL2720070 | 0.81 | PPARG (0.53) | ESR1CYP2D6CYP3A4PPARGPPARD | |
| SCHEMBL22863056 | 0.81 | RARB (0.43) | ESR1PTPN11CYP2D6CYP3A4RARB |
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 |
|---|---|---|---|---|---|---|---|
| US-5338483-A | Anisotropic compounds having nematic phase and liquid crystal mixtures | MERCK PATENT GMBH (DE) | 1994-08-16 | — | — | US | disclosed |
| US-5310501-A | Anisotropic compounds having Nematic phase and liquid crystal mixtures | MERCK PATENT GMBH (DE) | 1994-05-10 | — | — | US | disclosed |
| US-5227484-A | ANISOTROPIC COMPOUNDS HAVING NEMATIC PHASE AND LIQUID CRYSTAL MIXTURES | MERCK PATENT GMBH (DE) | 1993-07-13 | — | — | US | disclosed |
| US-5179101-A | Anisotropic compounds having nematic phase and liquid crystal mixtures | MERCK PATENT GMBH (DE) | 1993-01-12 | — | — | US | disclosed |
| US-5047170-A | Anisotropic compounds having nematic phase and liquid crystal mixtures | MERCK PATENT GMBH (DE) | 1991-09-10 | — | — | US | disclosed |
| US-4808333-A | Anisotropic compounds having nematic phase and liquid crystal mixtures | MERCK PATENT GMBH (DE) | 1989-02-28 | — | — | US | disclosed |
| EP-0084194-B1 | LIQUID CRYSTAL MIXTURES | MERCK PATENT GmbH (DE) | 1986-04-30 | — | — | EP | disclosed |
| EP-0084194-A1 | Liquid crystal mixtures | MERCK PATENT GmbH (DE) | 1983-07-27 | — | — | EP | disclosed |