Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 6/20 | 0.36 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.36 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.36 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | VDR | P11473 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9399001 | 1.00 | CYP3A4 (0.39) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9399626 | 0.97 | CYP3A4 (0.39) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9398933 | 0.96 | CYP3A4 (0.37) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9399799 | 0.85 | OPRL1 (0.40) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9433445 | 0.82 | MAPT (0.37) | CYP3A4CYP2C8CYP2C9S1PR3CNR2 | |
| SCHEMBL9399499 | 0.82 | MAPT (0.37) | CYP3A4CYP2C8CYP2C9S1PR3CNR2 | |
| SCHEMBL9399384 | 0.81 | SPHK1 (0.35) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9399346 | 0.80 | CYP3A4 (0.42) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9775757 | 0.80 | CNR2 (0.35) | CNR2ARVDR | |
| SCHEMBL9399017 | 0.79 | CYP3A4 (0.41) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 |
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 |