Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.50 |
| ▸ | RARB | P10826 | 2/20 | 0.49 |
| ▸ | PLK1 | P53350 | 1/20 | 0.49 |
| ▸ | THRA | P10827 | 2/20 | 0.47 |
| ▸ | THRB | P10828 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28575328 | 1.00 | POLB (0.50) | POLBCTDSP1RARBPLK1THRA | |
| SCHEMBL28580248 | 0.95 | THRA (0.54) | POLBCTDSP1RARBTHRATHRB | |
| SCHEMBL28580249 | 0.95 | THRA (0.54) | POLBCTDSP1RARBTHRATHRB | |
| SCHEMBL8448323 | 0.89 | POLB (0.62) | POLBCTDSP1PLK1THRATHRB | |
| SCHEMBL8448322 | 0.89 | POLB (0.62) | POLBCTDSP1PLK1THRATHRB | |
| SCHEMBL12189959 | 0.85 | ESR1 (0.59) | RARBTHRATHRBALDH1A1HSD17B10 | |
| SCHEMBL27881438 | 0.84 | SMN1; SMN2 (0.59) | POLBCTDSP1RARBNPC1NFKB1 | |
| SCHEMBL687846 | 0.84 | SMN1; SMN2 (0.59) | POLBCTDSP1RARBNPC1NFKB1 | |
| SCHEMBL15871050 | 0.84 | FFAR1 (0.53) | RARBPLK1THRATHRBCA1 | |
| SCHEMBL10005524 | 0.83 | ESR1 (0.62) | RARBTHRATHRBALDH1A1HSD17B10 |
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-109762576-B | Liquid crystal compound, liquid crystal composition and application thereof | 武汉轻工大学 | 2021-06-29 | — | — | CN | disclosed |