Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.76 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 7/20 | 0.48 |
| ▸ | KIF11 | P52732 | 2/20 | 0.47 |
| ▸ | MMP3 | P08254 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.42 |
| ▸ | CTSC | P53634 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4651866 | 0.94 | CYP2A6 (0.86) | CYP2A6TSHRHSD17B10LOXL2HRH3 | |
| SCHEMBL10243323 | 0.94 | CYP2A6 (0.86) | CYP2A6TSHRHSD17B10LOXL2HRH3 | |
| SCHEMBL91062 | 0.87 | CYP2A6 (1.00) | CYP2A6TSHRHSD17B10LOXL2KCNH2 | |
| SCHEMBL25188141 | 0.85 | CYP2A6 (0.70) | CYP2A6TSHRHSD17B10LOXL2HRH3 | |
| SCHEMBL14228591 | 0.83 | CYP2A6 (0.68) | CYP2A6TSHRHSD17B10HRH3 | |
| SCHEMBL12141850 | 0.82 | CYP2A6 (0.51) | CYP2A6TSHRHSD17B10HRH3KIF11 | |
| SCHEMBL7666462 | 0.81 | CYP2A6 (0.86) | CYP2A6TSHRHSD17B10LOXL2KCNH2 | |
| SCHEMBL19743177 | 0.80 | CYP2A6 (0.63) | CYP2A6TSHRHSD17B10LOXL2HRH3 | |
| SCHEMBL11457698 | 0.79 | CYP2A6 (0.61) | CYP2A6TSHRHSD17B10LOXL2HRH3 | |
| SCHEMBL10660521 | 0.79 | CYP2A6 (0.61) | CYP2A6TSHRHSD17B10LOXL2HRH3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1169138-A | Novel liquid crystal compound bearing dienyl moiety and liquid crystal composition | CHISSO CORP (JP) | 1997-12-31 | — | — | CN | disclosed |