Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.32 |
| ▸ | TLR4 | O00206 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | PRKCA | P17252 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.31 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | DRD4 | P21917 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.30 |
| ▸ | ACP1 | P24666 | 1/20 | 0.30 |
| ▸ | CDC25B | P30305 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL6671041 | 0.90 | TLR4 (0.36) | TLR4 | |
| SCHEMBL6666392 | 0.78 | SIRT2 (0.33) | CYP1A2 | |
| SCHEMBL6910065 | 0.77 | CYP1A2 (0.46) | CYP1A2TLR4CHRM2CHRM4CHRM5 | |
| SCHEMBL13378068 | 0.77 | CYP1A2 (0.46) | CYP1A2TLR4CHRM2CHRM4CHRM5 | |
| SCHEMBL2892324 | 0.77 | CYP1A2 (0.46) | CYP1A2TLR4CHRM2CHRM4CHRM5 | |
| SCHEMBL1255189 | 0.77 | CYP1A2 (0.46) | CYP1A2TLR4CHRM2CHRM4CHRM5 | |
| SCHEMBL6908675 | 0.77 | CYP1A2 (0.44) | CYP1A2TLR4ALDH1A1CHRM2CHRM4 | |
| SCHEMBL6667456 | 0.76 | PRKCA (0.30) | PRKCA | |
| SCHEMBL19722190 | 0.76 | CYP1A2 (0.45) | CYP1A2TLR4ALDH1A1CHRM2CHRM4 | |
| SCHEMBL10862180 | 0.76 | CYP1A2 (0.45) | CYP1A2TLR4ALDH1A1CHRM2CHRM4 |
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-1012148-B1 | MONOACETALS OF BICYCLOHEXYL-4,4-DIONE AND THEIR USE IN PREPARING LIQUID CRYSTALS | ROLIC AG (CH) | 2004-09-15 | — | — | EP | disclosed |
| EP-1012148-A1 | MONOACETALS OF BICYCLOHEXYL-4,4-DIONE AND THEIR USE IN PREPARING LIQUID CRYSTALS | Rolic AG (CH) | 2000-06-28 | — | — | EP | disclosed |
| WO-1999012920-A1 | MONOACETALS OF BICYCLOHEXYL-4,4-DIONE AND THEIR USE IN PREPARING LIQUID CRYSTALS | ROLIC AG (CH) | 1999-03-18 | — | — | WO | disclosed |