Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | CA12 | O43570 | 4/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | KDM5A | P29375 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15187351 | 1.00 | TSHR (0.46) | TSHRCA12CA14CA2CA1 | |
| SCHEMBL15187352 | 1.00 | TSHR (0.46) | TSHRCA12CA14CA2CA1 | |
| SCHEMBL17526723 | 0.89 | TSHR (0.50) | TSHRCA12CA14CA2CA1 | |
| SCHEMBL17526659 | 0.89 | TSHR (0.50) | TSHRCA12CA14CA2CA1 | |
| SCHEMBL15187093 | 0.89 | ALDH1A1 (0.50) | TSHRCA12CA14CA2CA1 | |
| SCHEMBL5000221 | 0.87 | TSHR (0.55) | TSHRCA12CA14SLC1A1LMNA | |
| SCHEMBL17526393 | 0.87 | LMNA (0.48) | TSHRLMNAKMT2AMEN1L3MBTL1 | |
| SCHEMBL17526409 | 0.87 | LMNA (0.48) | TSHRLMNAKMT2AMEN1L3MBTL1 | |
| SCHEMBL17526968 | 0.86 | TSHR (0.44) | TSHRCA12CA14CA2CA1 | |
| SCHEMBL17526834 | 0.86 | TSHR (0.44) | TSHRCA12CA14CA2CA1 |
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-115960074-A | Fluorine-containing ferroelectric liquid crystal molecules containing heteroatom hexatomic alicyclic ring and synthesis method thereof | 华南理工大学 | 2023-04-14 | — | — | CN | disclosed |