Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 5/20 | 0.43 |
| ▸ | KMO | O15229 | 2/20 | 0.41 |
| ▸ | ACACB | O00763 | 8/20 | 0.39 |
| ▸ | PDE4A | P27815 | 2/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.38 |
| ▸ | XDH | P47989 | 2/20 | 0.38 |
| ▸ | ACACA | Q13085 | 3/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9399512 | 1.00 | GRM2 (0.43) | GRM2KMOACACBPDE4APDE4B | |
| SCHEMBL9399949 | 0.89 | FFAR4 (0.39) | GRM2ACACBPDE4APDE4BPDE4C | |
| SCHEMBL9399956 | 0.89 | FFAR4 (0.39) | GRM2ACACBPDE4APDE4BPDE4C | |
| SCHEMBL9398761 | 0.89 | XDH (0.38) | GRM2PDE4BXDHCNR2 | |
| SCHEMBL9398752 | 0.89 | XDH (0.38) | GRM2PDE4BXDHCNR2 | |
| SCHEMBL9399055 | 0.89 | GRM2 (0.37) | GRM2KMOCYP2C9 | |
| SCHEMBL9399045 | 0.89 | GRM2 (0.37) | GRM2KMOCYP2C9 | |
| SCHEMBL9399078 | 0.88 | RARB (0.40) | GRM2KMOPDE4APDE4BPDE4C | |
| SCHEMBL9399071 | 0.88 | RARB (0.40) | GRM2KMOPDE4APDE4BPDE4C | |
| SCHEMBL9398816 | 0.87 | XDH (0.51) | XDH |
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 |