Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | ACACB | O00763 | 1/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | PTPRC | P08575 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8517770 | 0.84 | ADRB2 (0.32) | CYP2D6ADRB2ADRB1LMNACYP1A2 | |
| SCHEMBL8517467 | 0.81 | LMNA (0.40) | CYP2D6MAPTADRB2ADRB1LMNA | |
| SCHEMBL7856830 | 0.80 | MAPT (0.41) | CYP2D6MAPTADRB2ADRB1LMNA | |
| SCHEMBL8517374 | 0.80 | ADRB2 (0.44) | CYP2D6MAPTADRB2ADRB1LMNA | |
| SCHEMBL8518542 | 0.77 | ADRB2 (0.35) | CYP2D6MAPTADRB2ADRB1LMNA | |
| SCHEMBL8517691 | 0.72 | ADRB2 (0.44) | CYP2D6MAPTADRB2ADRB1LMNA | |
| SCHEMBL8518534 | 0.72 | LMNA (0.37) | CYP2D6MAPTADRB2ADRB1LMNA | |
| SCHEMBL8517500 | 0.72 | ADRB2 (0.39) | CYP2D6ADRB2ADRB1LMNACYP1A2 | |
| SCHEMBL8517707 | 0.70 | CYP2D6 (0.51) | CYP2D6MAPTADRB2ADRB1LMNA | |
| SCHEMBL7863562 | 0.69 | ADRB2 (0.46) | CYP2D6MAPTADRB2ADRB1LMNA |
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-0628530-B1 | ACETYLENE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME AS ACTIVE INGREDIENT, AND LIQUID CRYSTAL ELEMENT MADE THEREFROM | SUMITOMO CHEMICAL CO (JP) | 1999-03-24 | — | — | EP | disclosed |
| US-5534188-A | Acetylene derivatives, process for producing the same, liquid crystal composition containing the same as an active ingredient, and liquid crystal element using said liquid crystal composition | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1996-07-09 | — | — | US | disclosed |
| EP-0628530-A1 | ACETYLENE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME AS ACTIVE INGREDIENT, AND LIQUID CRYSTAL ELEMENT MADE THEREFROM | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 1994-12-14 | — | — | EP | disclosed |