Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 5/20 | 0.41 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.37 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.37 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 2/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | ACACB | O00763 | 2/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9497411 | 1.00 | ESR2 (0.41) | ESR2MCHR1EGLN1EGLN3NPBWR1 | |
| SCHEMBL9495667 | 0.87 | MCHR1 (0.43) | MCHR1EGLN1EGLN3NPBWR1APP | |
| SCHEMBL9495658 | 0.87 | MCHR1 (0.43) | MCHR1EGLN1EGLN3NPBWR1APP | |
| SCHEMBL9499816 | 0.86 | ESR2 (0.40) | ESR2MCHR1EGLN1EGLN3ACACB | |
| SCHEMBL9499809 | 0.86 | ESR2 (0.40) | ESR2MCHR1EGLN1EGLN3ACACB | |
| SCHEMBL9508933 | 0.85 | APP (0.49) | ESR2APPDRD2ACACBGRM3 | |
| SCHEMBL13433641 | 0.85 | APP (0.49) | ESR2APPDRD2ACACBGRM3 | |
| SCHEMBL9496084 | 0.85 | CYP2C9 (0.42) | ESR2MCHR1EGLN1EGLN3NPBWR1 | |
| SCHEMBL9496093 | 0.85 | CYP2C9 (0.42) | ESR2MCHR1EGLN1EGLN3NPBWR1 | |
| SCHEMBL9500347 | 0.84 | MCHR1 (0.40) | ESR2MCHR1ACACBHRH3CHRM1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0306505-B1 | ACETYLENE DERIVATIVES AS COMPONENTS OF LIQUID CRYSTAL PHASES | MERCK PATENT GmbH (DE) | 1993-03-24 | — | — | EP | disclosed |
| US-5068053-A | Liquid crystals for optical apparatus | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-11-26 | — | — | US | disclosed |
| EP-0306505-A1 | ACETYLENE DERIVATIVES AS COMPONENTS OF LIQUID CRYSTAL PHASES. | MERCK PATENT GMBH (DE) | 1989-03-15 | — | — | EP | disclosed |
| WO-1988007523-A1 | ACETYLENE DERIVATIVES AS COMPONENTS OF LIQUID CRYSTAL PHASES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1988-10-06 | — | — | WO | disclosed |