Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | GRM2 | Q14416 | 5/20 | 0.39 |
| ▸ | XDH | P47989 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9399176 | 0.96 | GRM2 (0.38) | NPC1RAB9ASMN1; SMN2KDM4EHSD17B10 | |
| SCHEMBL9399390 | 0.94 | NPC1 (0.40) | NPC1RAB9ASMN1; SMN2KDM4EHSD17B10 | |
| SCHEMBL9432824 | 0.92 | GRM2 (0.38) | NPC1RAB9ASMN1; SMN2KDM4EHSD17B10 | |
| SCHEMBL9399539 | 0.85 | RARB (0.44) | NPC1RAB9ASMN1; SMN2KDM4EHSD17B10 | |
| SCHEMBL9398959 | 0.84 | XDH (0.39) | GRM2XDHMAPTALDH1A1NOS3 | |
| SCHEMBL9399202 | 0.83 | NPC1 (0.42) | NPC1RAB9ASMN1; SMN2KDM4EHSD17B10 | |
| SCHEMBL9399620 | 0.82 | NOS3 (0.44) | GRM2XDHNOS3NOS1NOS2 | |
| SCHEMBL9399020 | 0.81 | RARB (0.39) | RAB9ASMN1; SMN2KDM4EHSD17B10GRM2 | |
| SCHEMBL9398837 | 0.81 | NPC1 (0.38) | NPC1RAB9ASMN1; SMN2KDM4EHSD17B10 | |
| SCHEMBL9398840 | 0.81 | NPC1 (0.38) | NPC1RAB9ASMN1; SMN2KDM4EHSD17B10 |
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 7 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-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 |