Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.38 |
| ▸ | HTT | P42858 | 3/20 | 0.36 |
| ▸ | TLR4 | O00206 | 1/20 | 0.34 |
| ▸ | CCR2 | P41597 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.31 |
| ▸ | NAAA | Q02083 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL9013595 | 1.00 | CYP1A2 (0.38) | CYP1A2HTTTLR4CCR2PKM | |
| SCHEMBL9632248 | 0.91 | HTT (0.34) | HTTTLR4NOS3NOS1NOS2 | |
| SCHEMBL9632244 | 0.91 | HTT (0.34) | HTTTLR4NOS3NOS1NOS2 | |
| SCHEMBL9013735 | 0.88 | CYP1A2 (0.50) | CYP1A2HTTTLR4CCR2PKM | |
| SCHEMBL9013281 | 0.88 | CYP1A2 (0.42) | CYP1A2HTTTLR4CCR2PKM | |
| SCHEMBL7737003 | 0.88 | CYP1A2 (0.50) | CYP1A2HTTTLR4CCR2PKM | |
| SCHEMBL7737007 | 0.88 | CYP1A2 (0.50) | CYP1A2HTTTLR4CCR2PKM | |
| SCHEMBL9013274 | 0.88 | CYP1A2 (0.42) | CYP1A2HTTTLR4CCR2PKM | |
| SCHEMBL9013734 | 0.88 | CYP1A2 (0.50) | CYP1A2HTTTLR4CCR2PKM | |
| SCHEMBL87369 | 0.87 | — | — |
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-0568040-B1 | Cyclohexane derivative and liquid crystal composition containing the same | CHISSO CORP (JP) | 1996-12-04 | — | — | EP | disclosed |
| US-5468421-A | Cyclohexane derivative and liquid crystal composition containing the same | CHISSO CORPORATION (JP) | 1995-11-21 | — | — | US | disclosed |
| EP-0568040-A1 | Cyclohexane derivative and liquid crystal composition containing the same | CHISSO CORPORATION (JP) | 1993-11-03 | — | — | EP | disclosed |