Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | GBA1 | P04062 | 2/20 | 0.38 |
| ▸ | FYN | P06241 | 1/20 | 0.38 |
| ▸ | GLB1 | P16278 | 2/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12833131 | 0.85 | CA1 (0.41) | CA1CA2CA4GBA1FYN | |
| SCHEMBL16359208 | 0.83 | CYP1A2 (0.48) | CA1CA2CA4GBA1GLB1 | |
| SCHEMBL12417927 | 0.83 | CA1 (0.40) | CA1CA2CA4GBA1FYN | |
| SCHEMBL6908505 | 0.82 | GBA1 (0.34) | CA1CA2CA4GBA1 | |
| SCHEMBL178281 | 0.82 | — | — | |
| SCHEMBL12166589 | 0.81 | CA1 (0.34) | CA1CA2CA4GBA1FYN | |
| SCHEMBL6909346 | 0.81 | CA1 (0.39) | CA1CA2CA4GBA1FYN | |
| SCHEMBL14455193 | 0.81 | CA1 (0.39) | CA1CA2CA4GBA1FYN | |
| SCHEMBL19125511 | 0.81 | NOS3 (0.39) | CA1CA2CA4FYNNOS3 | |
| SCHEMBL16444953 | 0.81 | NOS3 (0.39) | CA1CA2CA4FYNNOS3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107663186-B | Compound, liquid crystal composition and liquid crystal display | 阜阳欣奕华材料科技有限公司 | 2020-05-26 | — | — | CN | disclosed |
| CN-107663187-B | Compound, liquid crystal composition and liquid crystal display | 阜阳欣奕华材料科技有限公司 | 2020-05-26 | — | — | CN | disclosed |