Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | NAAA | Q02083 | 3/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9499229 | 0.92 | NAAA (0.36) | CYP2C19NAAAEPHX1CHRM3 | |
| SCHEMBL9502509 | 0.91 | NAAA (0.38) | CYP2C19NAAA | |
| SCHEMBL10479618 | 0.86 | NAAA (0.38) | CYP2C19NAAA | |
| SCHEMBL5711870 | 0.76 | CYP2C19 (0.34) | CYP2C19NAAAEPHX1 | |
| SCHEMBL7910495 | 0.75 | NAAA (0.34) | CYP2C19NAAAEPHX1 | |
| SCHEMBL11097035 | 0.72 | NAAA (0.43) | CYP2C19NAAAEPHX1 | |
| SCHEMBL10797940 | 0.71 | MAPT (0.38) | CYP2C19NAAAEPHX1CHRM3 | |
| SCHEMBL10383950 | 0.71 | NAAA (0.38) | CYP2C19NAAAEPHX1 | |
| SCHEMBL7910467 | 0.71 | NAAA (0.38) | CYP2C19NAAAEPHX1 | |
| SCHEMBL10435375 | 0.70 | CYP1A2 (0.35) | CYP2C19CHRM3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5188758-A | Electrooptical display element using a supertwist liquid crystal having specified elastic constants | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 1993-02-23 | — | — | US | disclosed |
| US-4871470-A | LIQUID CRYSTALS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1989-10-03 | — | — | US | disclosed |
| US-4799774-A | Electrooptical display element using a supertwist liquid crystal having specified elastic constants | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1989-01-24 | — | — | US | disclosed |