Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.43 |
| ▸ | DGAT1 | O75907 | 4/20 | 0.39 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | MMP2 | P08253 | 2/20 | 0.37 |
| ▸ | MMP3 | P08254 | 2/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | MMP14 | P50281 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.36 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL9399587 | 0.92 | CYP2C9 (0.44) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9399332 | 0.92 | CYP2C9 (0.44) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9398922 | 0.89 | SPHK1 (0.41) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL13614298 | 0.88 | ESR2 (0.49) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9398939 | 0.88 | CYP2C9 (0.42) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL11024224 | 0.87 | CYP2C9 (0.40) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL11024230 | 0.87 | CYP2C9 (0.40) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL11024229 | 0.87 | CYP2C9 (0.40) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL20989700 | 0.87 | CYP2C9 (0.41) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL13614297 | 0.86 | DRD2 (0.40) | CYP2C9ALDH1A1LMNAMAPTMEN1 |
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-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 |