Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.52 |
| ▸ | GCGR | P47871 | 2/20 | 0.45 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15068306 | 0.75 | GCGR (0.53) | DHFRGCGRGPR84HSD11B1SOAT1 | |
| SCHEMBL15068263 | 0.75 | GCGR (0.53) | DHFRGCGRGPR84HSD11B1SOAT1 | |
| SCHEMBL15068264 | 0.70 | GPR84 (0.63) | DHFRGCGRGPR84HSD11B1KCNH2 | |
| SCHEMBL15068307 | 0.70 | GPR84 (0.63) | DHFRGCGRGPR84HSD11B1KCNH2 | |
| SCHEMBL1754697 | 0.70 | DHFR (0.46) | DHFRGCGRGPR84HSD11B1TSHR | |
| SCHEMBL6512533 | 0.70 | GCGR (0.54) | DHFRGCGRGPR84HSD11B1KCNH2 | |
| SCHEMBL28111153 | 0.70 | GCGR (0.58) | DHFRGCGRGPR84HSD11B1KCNH2 | |
| SCHEMBL9128219 | 0.69 | LIPG (0.47) | DHFRGCGR | |
| SCHEMBL4838823 | 0.69 | DHFR (1.00) | DHFR | |
| SCHEMBL16678699 | 0.68 | HSD11B1 (0.63) | HSD11B1KCNH2TSHR |
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 |