Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 3/20 | 0.44 |
| ▸ | PTPN11 | Q06124 | 4/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.44 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.42 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.42 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.42 |
| ▸ | THRA | P10827 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | RARB | P10826 | 3/20 | 0.40 |
| ▸ | RARA | P10276 | 2/20 | 0.40 |
| ▸ | RARG | P13631 | 1/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.38 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | BDKRB2 | P30411 | 2/20 | 0.36 |
| ▸ | MGLL | Q99685 | 3/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10981104 | 0.99 | PTPN11 (0.46) | S1PR1PTPN11PTPN1PTPN6S1PR3 | |
| SCHEMBL10977775 | 0.99 | PTPN11 (0.46) | S1PR1PTPN11PTPN1PTPN6S1PR3 | |
| SCHEMBL10985489 | 0.99 | PTPN11 (0.46) | S1PR1PTPN11PTPN1PTPN6S1PR3 | |
| SCHEMBL10978711 | 0.96 | S1PR1 (0.47) | S1PR1PTPN11PTPN1PTPN6S1PR3 | |
| SCHEMBL10980194 | 0.92 | S1PR1 (0.41) | S1PR1PTPN11PTPN1PTPN6S1PR3 | |
| SCHEMBL10980023 | 0.87 | CYP17A1 (0.42) | S1PR1CYP17A1 | |
| SCHEMBL10454904 | 0.84 | RARB (0.49) | S1PR1PTPN11PTPN1PTPN6S1PR3 | |
| SCHEMBL9148124 | 0.84 | THRA (0.44) | S1PR1PTPN11PTPN1PTPN6S1PR3 | |
| SCHEMBL10976133 | 0.84 | PTPN11 (0.49) | S1PR1PTPN11PTPN1PTPN6S1PR3 | |
| SCHEMBL9484969 | 0.83 | THRA (0.51) | S1PR1PTPN11PTPN1PTPN6S1PR3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0074608-B1 | LIQUID CRYSTAL HALOGEN COMPOUNDS, PROCESS FOR THEIR PREPARATION, DIELECTRIC AND DECTROOPTICAL DISPLAY ELEMENT CONTAINING THEM | MERCK PATENT GmbH (DE) | 1985-07-03 | — | — | EP | disclosed |
| US-4490305-A | Liquid-crystalline halogen compounds, process for their preparation, dielectrics containing these, and electro-optical display element | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1984-12-25 | — | — | US | disclosed |
| EP-0074608-A2 | Liquid crystal halogen compounds, process for their preparation, dielectric and dectrooptical display element containing them | MERCK PATENT GmbH (DE) | 1983-03-23 | — | — | EP | disclosed |