Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.32 |
| ▸ | TP53 | P04637 | 3/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | THPO | P40225 | 1/20 | 0.32 |
| ▸ | PPM1B | O75688 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | PPP1CC | P36873 | 1/20 | 0.32 |
| ▸ | TFPI2 | P48307 | 1/20 | 0.32 |
| ▸ | PPP5C | P53041 | 1/20 | 0.32 |
| ▸ | PPP2CA | P67775 | 1/20 | 0.32 |
| ▸ | PPP1CA | P62136 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | GMNN | O75496 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6666394 | 0.83 | POLB (0.35) | MAPK1LMNAKDM4E | |
| SCHEMBL6670109 | 0.81 | — | — | |
| SCHEMBL14285870 | 0.81 | TP53 (0.30) | CYP3A4TP53MAPK1HIF1ALMNA | |
| SCHEMBL422994 | 0.81 | ALDH1A1 (0.33) | MAPK1LMNANPC1RAB9AKDM4E | |
| SCHEMBL657653 | 0.81 | HSD11B1 (0.35) | CYP3A4TP53MAPK1HIF1ALMNA | |
| SCHEMBL19339358 | 0.79 | ALDH1A1 (0.33) | KDM4EKMT2A | |
| SCHEMBL6666668 | 0.79 | — | — | |
| SCHEMBL13766340 | 0.79 | — | — | |
| SCHEMBL17459561 | 0.78 | MAPT (0.33) | CYP3A4TP53MAPK1HIF1ALMNA | |
| SCHEMBL931745 | 0.77 | POLB (0.38) | TDP1HSD11B1 |
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 |