Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKE | Q14164 | 3/20 | 0.39 |
| ▸ | TBK1 | Q9UHD2 | 3/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.34 |
| ▸ | ICMT | O60725 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | PRKACA | P17612 | 1/20 | 0.31 |
| ▸ | PRKACG | P22612 | 1/20 | 0.31 |
| ▸ | PRKACB | P22694 | 1/20 | 0.31 |
| ▸ | XDH | P47989 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9399418 | 1.00 | IKBKE (0.39) | IKBKETBK1S1PR1ICMTAR | |
| SCHEMBL9398838 | 0.88 | IKBKE (0.37) | IKBKETBK1S1PR1ICMTAR | |
| SCHEMBL9398832 | 0.88 | IKBKE (0.37) | IKBKETBK1S1PR1ICMTAR | |
| SCHEMBL9399518 | 0.88 | IKBKE (0.38) | IKBKETBK1S1PR1XDH | |
| SCHEMBL9399509 | 0.88 | IKBKE (0.38) | IKBKETBK1S1PR1XDH | |
| SCHEMBL9398660 | 0.85 | ALDH1A1 (0.42) | IKBKETBK1XDH | |
| SCHEMBL9398668 | 0.85 | ALDH1A1 (0.42) | IKBKETBK1XDH | |
| SCHEMBL9399404 | 0.85 | S1PR1 (0.38) | IKBKETBK1S1PR1ICMTAR | |
| SCHEMBL9399226 | 0.84 | CEL (0.35) | S1PR1GAAMAPT | |
| SCHEMBL9398920 | 0.84 | LNPEP (0.35) | TSHRGAAMAPTMEN1KMT2A |
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 6 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 |