Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGLL | Q99685 | 10/20 | 0.49 |
| ▸ | FAAH | O00519 | 2/20 | 0.49 |
| ▸ | CNR1 | P21554 | 2/20 | 0.49 |
| ▸ | HSD17B14 | Q9BPX1 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 1/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.40 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.39 |
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 | 0.86 | S1PR1 (0.47) | MGLLCYP3A4CYP2D6PTPN11 | |
| SCHEMBL8774006 | 0.83 | MGLL (0.53) | MGLLFAAHCNR1SMPD1ESR1 | |
| SCHEMBL8774258 | 0.83 | MGLL (0.53) | MGLLFAAHCNR1SMPD1ESR1 | |
| SCHEMBL8773996 | 0.83 | MGLL (0.53) | MGLLFAAHCNR1SMPD1ESR1 | |
| SCHEMBL8774059 | 0.83 | MGLL (0.53) | MGLLFAAHCNR1SMPD1ESR1 | |
| SCHEMBL6249403 | 0.83 | MGLL (0.46) | MGLLFAAHCNR1SMPD1ESR1 | |
| SCHEMBL8774093 | 0.81 | NR5A1 (0.57) | MGLLFAAHCNR1CYP3A4CYP2D6 | |
| SCHEMBL9663860 | 0.81 | NR5A1 (0.57) | MGLLFAAHCNR1CYP3A4CYP2D6 | |
| SCHEMBL7883759 | 0.80 | NR5A1 (0.56) | CYP3A4CYP2D6ESR1PTPN11 | |
| SCHEMBL8108926 | 0.80 | S1PR1 (0.41) | MGLLCYP3A4CYP2D6PTPN11 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-0628532-A1 | Fluorobenzole derivatives and mesomorphous medium | MERCK PATENT GmbH (DE) | 1994-12-14 | — | — | EP | disclosed |
| WO-1991003450-A1 | FLUOROBENZOLE DERIVATIVES AND MESOMORPHOUS MEDIUM | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1991-03-21 | — | — | WO | disclosed |