Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 8/20 | 0.46 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.46 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.46 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.46 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | THRA | P10827 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | RAD52 | P43351 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | LYPLA1 | O75608 | 1/20 | 0.40 |
| ▸ | LYPLA2 | O95372 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9399307 | 1.00 | ESR1 (0.46) | ESR1S1PR1S1PR3S1PR2LPAR2 | |
| SCHEMBL9399792 | 0.97 | ESR1 (0.43) | ESR1S1PR1S1PR3S1PR2LPAR2 | |
| SCHEMBL9399208 | 0.96 | HPGD (0.43) | ESR1S1PR1S1PR3S1PR2LPAR2 | |
| SCHEMBL10710424 | 0.86 | S1PR1 (0.47) | S1PR1S1PR3S1PR2LPAR2THRA | |
| SCHEMBL9398689 | 0.85 | PDE4B (0.41) | S1PR3HPGDTHRBMEN1KMT2A | |
| SCHEMBL9399008 | 0.84 | HPGD (0.40) | ESR1S1PR1S1PR3S1PR2LPAR2 | |
| SCHEMBL9398744 | 0.82 | ESR1 (0.46) | ESR1S1PR1S1PR3S1PR2LPAR2 | |
| SCHEMBL9399194 | 0.82 | ESR1 (0.46) | ESR1S1PR1S1PR3S1PR2LPAR2 | |
| SCHEMBL9399346 | 0.81 | CYP3A4 (0.42) | S1PR3MEN1KMT2AGAAMAPT | |
| SCHEMBL9399597 | 0.81 | ALOX15 (0.48) | HPGDMEN1KMT2AALDH1A1MAPK1 |
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-5047170-A | Anisotropic compounds having nematic phase and liquid crystal mixtures | MERCK PATENT GMBH (DE) | 1991-09-10 | — | — | 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 |