Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | LPL | P06858 | 1/20 | 0.42 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.42 |
| ▸ | ACACB | O00763 | 12/20 | 0.42 |
| ▸ | RXRA | P19793 | 1/20 | 0.39 |
| ▸ | RXRB | P28702 | 1/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2126535 | 0.89 | LPL (0.52) | CYP2A6LPLLIPGRXRARXRB | |
| SCHEMBL7851797 | 0.83 | LPL (0.47) | LPLLIPGRXRARXRBCYP2C19 | |
| SCHEMBL8228398 | 0.78 | CYP2A6 (0.64) | CYP2A6LPLLIPGACACBAPP | |
| SCHEMBL5050178 | 0.78 | CYP2A6 (0.64) | CYP2A6LPLLIPGACACBAPP | |
| SCHEMBL13433660 | 0.77 | NQO1 (0.58) | ACACB | |
| SCHEMBL4799978 | 0.77 | APP (0.59) | CYP2A6ACACBAPPSMN1; SMN2 | |
| SCHEMBL9509352 | 0.76 | ACACB (0.56) | CYP2A6ACACB | |
| SCHEMBL28464653 | 0.73 | LPL (0.48) | LPLLIPGRXRARXRBCYP2C19 | |
| SCHEMBL761972 | 0.73 | LPL (0.55) | LPLLIPG | |
| SCHEMBL9509270 | 0.73 | CYP2A6 (0.44) | CYP2A6ACACBRXRARXRBAPP |
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-104263380-B | A kind of liquid-crystal compounds with high birefringence rate and wide nematic phase temperature range and combinations thereof thing | 西安近代化学研究所 | 2016-08-17 | — | — | CN | disclosed |