Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 2/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.41 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.41 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 6/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.39 |
| ▸ | MGLL | Q99685 | 4/20 | 0.39 |
| ▸ | PTPN11 | Q06124 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | THRA | P10827 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | RXRA | P19793 | 2/20 | 0.37 |
| ▸ | FPR2 | P25090 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.37 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.36 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.36 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.36 |
| ▸ | PDGFRA | P16234 | 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 | |
|---|---|---|---|---|
| SCHEMBL8969781 | 0.90 | S1PR1 (0.47) | S1PR1S1PR3S1PR4S1PR5MGLL | |
| SCHEMBL8102886 | 0.83 | MGLL (0.39) | GRIN2BGRIN1MGLLCYP3A4PDGFRB | |
| SCHEMBL9219171 | 0.83 | RARB (0.48) | MGLLPTPN11CYP3A4CYP2D6 | |
| SCHEMBL9223515 | 0.81 | RARB (0.49) | MGLLPTPN11CYP3A4CYP2D6 | |
| SCHEMBL8108949 | 0.80 | MGLL (0.49) | MGLLPTPN11CYP3A4CYP2D6 | |
| SCHEMBL8652239 | 0.79 | LOXL2 (0.45) | S1PR1S1PR3S1PR4S1PR5PTPN11 | |
| SCHEMBL9484258 | 0.79 | THRA (0.53) | S1PR1S1PR3S1PR4S1PR5MGLL | |
| SCHEMBL9484995 | 0.79 | THRA (0.53) | S1PR1S1PR3S1PR4S1PR5MGLL | |
| SCHEMBL9484989 | 0.79 | THRA (0.53) | S1PR1S1PR3S1PR4S1PR5MGLL | |
| SCHEMBL9483389 | 0.79 | THRA (0.53) | S1PR1S1PR3S1PR4S1PR5MGLL |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0628532-B1 | Fluorobenzole derivatives and mesomorphous medium | MERCK PATENT GMBH (DE) | 2000-01-19 | — | — | EP | disclosed |
| US-5641429-A | STABLE COMPOUNDS HAVING LOW VISCOSITY AND HIGH DIELECTRIC ANISOTROPY | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1997-06-24 | — | — | US | disclosed |
| US-5536442-A | ELECTROOPTICS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1996-07-16 | — | — | US | disclosed |
| US-5487845-A | ELECTROOPTICAL DISPLAY ELEMENTS; CHEMICAL, HEAT AND LIGHT STABILITY | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1996-01-30 | — | — | US | disclosed |
| US-5389292-A | Liquid crystalline media having positive dielctric anisotropy, chemical, heat and radiation resistance, used as electro-optical displaying | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1995-02-14 | — | — | US | disclosed |
| EP-0628532-A1 | Fluorobenzole derivatives and mesomorphous medium | MERCK PATENT GmbH (DE) | 1994-12-14 | — | — | EP | disclosed |
| EP-0381728-B1 | DIFLUOROMETHYL COMPOUNDS | MERCK PATENT GMBH (DE) | 1993-12-08 | — | — | EP | disclosed |
| WO-1991003450-A1 | FLUOROBENZOLE DERIVATIVES AND MESOMORPHOUS MEDIUM | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1991-03-21 | — | — | WO | disclosed |
| EP-0381728-A1 | DIFLUOROMETHYL COMPOUNDS. | MERCK PATENT GMBH (DE) | 1990-08-16 | — | — | EP | disclosed |
| WO-1990001056-A1 | DIFLUOROMETHYL COMPOUNDS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1990-02-08 | — | — | WO | disclosed |