Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.61 |
| ▸ | FADS1 | O60427 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | CES1 | P23141 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 2/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | CDC25B | P30305 | 1/20 | 0.38 |
| ▸ | CASP6 | P55212 | 1/20 | 0.38 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9042482 | 1.00 | KEAP1 (0.61) | KEAP1FADS1CES2CES1ALDH1A1 | |
| SCHEMBL9040913 | 0.85 | KEAP1 (0.47) | KEAP1CES2CES1ALDH1A1HSP90AB1 | |
| SCHEMBL11575893 | 0.82 | KEAP1 (0.58) | KEAP1FADS1CES2CES1ALDH1A1 | |
| SCHEMBL9376769 | 0.81 | KEAP1 (0.61) | KEAP1FADS1CES2CES1ALDH1A1 | |
| SCHEMBL5795078 | 0.81 | KEAP1 (0.61) | KEAP1FADS1CES2CES1ALDH1A1 | |
| SCHEMBL31130589 | 0.81 | CES2 (0.61) | KEAP1CES2CES1ALDH1A1HSP90AB1 | |
| SCHEMBL9041388 | 0.81 | MAPT (0.57) | ALDH1A1HSP90AB1NOS2CDC25BCASP6 | |
| SCHEMBL954719 | 0.81 | CES2 (0.61) | KEAP1CES2CES1ALDH1A1HSP90AB1 | |
| SCHEMBL11314160 | 0.79 | HSP90AB1 (0.52) | CES2CES1ALDH1A1HSP90AB1SMN1; SMN2 | |
| SCHEMBL459040 | 0.79 | HSP90AB1 (0.61) | ALDH1A1HSP90AB1L3MBTL1NOS2CDC25B |
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-119325476-A | Nitrogen-containing condensed 2, 3-dihydroquinazolinone compounds as NAV1.8 inhibitors | 葛兰素史密斯克莱知识产权发展有限公司 | 2025-01-17 | — | — | CN | disclosed |
| WO-2022214520-A1 | ANTIBACTERIAL COMPOUNDS | Janssen Sciences Ireland Unlimited Company (IE) | 2022-10-13 | — | — | WO | disclosed |