Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | IL1RN | P18510 | 1/20 | 0.42 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | THRA | P10827 | 1/20 | 0.40 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 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 | |
|---|---|---|---|---|
| SCHEMBL12789656 | 0.86 | KEAP1 (0.52) | ARCA1CA2KEAP1HPGD | |
| SCHEMBL18461065 | 0.83 | AR (0.47) | ARCA1CA2KEAP1HPGD | |
| SCHEMBL6332338 | 0.82 | TBXA2R (0.47) | ARCA1CA2HPGDLMNA | |
| SCHEMBL6533144 | 0.82 | CA1 (0.56) | ARCA1CA2KEAP1HPGD | |
| SCHEMBL251932 | 0.81 | AR (0.60) | ARKEAP1HPGDLMNATHRA | |
| SCHEMBL10443214 | 0.81 | AR (0.48) | ARCA1CA2KEAP1HPGD | |
| SCHEMBL14390532 | 0.80 | AR (0.58) | ARHPGDLMNATHRAAURKA | |
| SCHEMBL11210096 | 0.80 | AR (0.58) | ARHPGDLMNATHRAAURKA | |
| SCHEMBL1389557 | 0.80 | CA1 (0.47) | ARCA1CA2KEAP1HPGD | |
| SCHEMBL28098875 | 0.80 | CA1 (0.47) | ARCA1CA2KEAP1HPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117120406-A | Dialkyl pentene ether and dialkyl pentadiene ether derivatives as fragrances | 巴斯夫欧洲公司 | 2023-11-24 | — | — | CN | disclosed |
| CN-117062899-A | 2- (2- (3-methylbut-2-en-1-yl) phenyl) propanal and mixtures thereof as fragrance ingredients | 巴斯夫欧洲公司 | 2023-11-14 | — | — | CN | disclosed |
| CN-116249687-A | Bicyclic aromatic chemicals | 巴斯夫欧洲公司 | 2023-06-09 | — | — | CN | disclosed |