Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 2/20 | 0.55 |
| ▸ | GABRA1 | P14867 | 9/20 | 0.49 |
| ▸ | GABRB2 | P47870 | 9/20 | 0.49 |
| ▸ | CNR2 | P34972 | 4/20 | 0.49 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.49 |
| ▸ | CNR1 | P21554 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.49 |
| ▸ | RXRA | P19793 | 1/20 | 0.49 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.49 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.49 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.49 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.49 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.45 |
| ▸ | PELI1 | Q96FA3 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4987141 | 0.85 | GABRA1 (0.56) | AKR1B1GABRA1GABRB2CNR2ALOX5 | |
| SCHEMBL7784043 | 0.82 | AKR1B1 (0.72) | AKR1B1GABRA1GABRB2CNR2ALOX5 | |
| SCHEMBL27889219 | 0.81 | GABRA1 (0.56) | AKR1B1GABRA1GABRB2CNR2ALOX5 | |
| Butadiene SCHEMBL28294789 | 0.80 | ESR2 (0.53) | ALOX5ESR2PELI1HSD17B1HSD17B2 | |
| SCHEMBL29032545 | 0.79 | GABRA1 (0.47) | AKR1B1GABRA1GABRB2CNR2ALOX5 | |
| SCHEMBL29450254 | 0.78 | ALDH1A1 (0.62) | ALOX5ESR2PELI1HSD17B1HSD17B2 | |
| SCHEMBL29352158 | 0.78 | ALDH1A1 (0.62) | ALOX5ESR2PELI1HSD17B1HSD17B2 | |
| SCHEMBL2186104 | 0.78 | ALDH1A1 (0.62) | ALOX5ESR2PELI1HSD17B1HSD17B2 | |
| SCHEMBL31344495 | 0.78 | ALDH1A1 (0.62) | ALOX5ESR2PELI1HSD17B1HSD17B2 | |
| SCHEMBL31344497 | 0.78 | ALDH1A1 (0.62) | ALOX5ESR2PELI1HSD17B1HSD17B2 |
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-113293010-A | Liquid-crystalline medium comprising polymerisable compounds | 默克专利股份有限公司 | 2021-08-24 | — | — | CN | disclosed |
| CN-113046096-A | Liquid-crystalline medium comprising polymerisable compounds | 默克专利股份有限公司 | 2021-06-29 | — | — | CN | disclosed |