Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.35 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 4/20 | 0.34 |
| ▸ | CA1 | P00915 | 4/20 | 0.34 |
| ▸ | CA9 | Q16790 | 4/20 | 0.34 |
| ▸ | CASR | P41180 | 1/20 | 0.33 |
| ▸ | ACACB | O00763 | 2/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8517140 | 0.81 | ALDH1A1 (0.36) | LMNASMN1; SMN2NPSR1MAPTALDH1A1 | |
| SCHEMBL8517666 | 0.79 | CYP2D6 (0.40) | CYP2D6LMNASMN1; SMN2NPSR1MAPT | |
| SCHEMBL8599506 | 0.78 | CYP2D6 (0.34) | CYP2D6LMNASMN1; SMN2NPSR1MAPT | |
| SCHEMBL8517235 | 0.77 | CYP2D6 (0.38) | CYP2D6LMNASMN1; SMN2NPSR1MAPT | |
| SCHEMBL8517151 | 0.75 | CYP2D6 (0.43) | CYP2D6LMNASMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL8517137 | 0.75 | CYP2D6 (0.48) | CYP2D6LMNASMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL8517181 | 0.75 | CYP2D6 (0.45) | CYP2D6MAPTALDH1A1GAAADRB2 | |
| SCHEMBL8517707 | 0.71 | CYP2D6 (0.51) | CYP2D6LMNASMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL8517135 | 0.71 | CYP2D6 (0.43) | CYP2D6LMNASMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL8049176 | 0.70 | PDE3B (0.38) | CYP2D6LMNASMN1; SMN2NPSR1MAPT |
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 |