Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ASIC3 | Q9UHC3 | 2/20 | 0.35 |
| ▸ | MAP3K14 | Q99558 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.32 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.32 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | KMO | O15229 | 1/20 | 0.31 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 5/20 | 0.31 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.30 |
| ▸ | KDR | P35968 | 1/20 | 0.30 |
| ▸ | JAK2 | O60674 | 1/20 | 0.30 |
| ▸ | JAK1 | P23458 | 1/20 | 0.30 |
| ▸ | TYK2 | P29597 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8517940 | 0.85 | ASIC3 (0.36) | ASIC3MAP3K14KMOFGFR3KDR | |
| SCHEMBL7865028 | 0.81 | CDK8 (0.41) | CYP2D6ADRB2ADRB1SLC22A1LMNA | |
| SCHEMBL8517692 | 0.79 | ADRB2 (0.39) | CYP2D6ADRB2ADRB1ADRB3DYRK1A | |
| SCHEMBL8517630 | 0.78 | CYP2D6 (0.34) | CYP2D6ADRB2ADRB1SLC22A1LMNA | |
| SCHEMBL7785290 | 0.74 | KDM5B (0.36) | KMOPIK3CAFGFR3KDR | |
| SCHEMBL8517269 | 0.73 | CYP2D6 (0.35) | CYP2D6ADRB2ADRB1SLC22A1LMNA | |
| SCHEMBL8516504 | 0.72 | PTGS2 (0.41) | LMNAKMODYRK1ACLK4DYRK1B | |
| SCHEMBL8517724 | 0.71 | FGFR3 (0.32) | ASIC3FGFR3KDR | |
| SCHEMBL12742917 | 0.71 | MAPT (0.34) | KMOPIK3CADYRK1ACLK4DYRK1B | |
| SCHEMBL8517137 | 0.69 | CYP2D6 (0.48) | CYP2D6ADRB2ADRB1LMNAADRB3 |
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 |