Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.67 |
| ▸ | LMNA | P02545 | 2/20 | 0.67 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | CRHBP | P24387 | 2/20 | 0.47 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Nitrobenzene SCHEMBL27684151 | 0.87 | ALDH1A1 (0.80) | ALDH1A1LMNANFE2L2L3MBTL1MEN1 | |
| Nitrobenzene SCHEMBL27912673 | 0.85 | ALDH1A1 (0.76) | ALDH1A1LMNANFE2L2L3MBTL1MEN1 | |
| Nitrobenzene SCHEMBL317857 | 0.83 | ALDH1A1 (0.67) | ALDH1A1LMNANFE2L2L3MBTL1MEN1 | |
| Nitrobenzene SCHEMBL28276678 | 0.83 | ALDH1A1 (0.67) | ALDH1A1LMNANFE2L2L3MBTL1MEN1 | |
| Nitrobenzene SCHEMBL29077125 | 0.82 | ALDH1A1 (0.59) | ALDH1A1LMNANFE2L2L3MBTL1MEN1 | |
| Nitrobenzene SCHEMBL27900325 | 0.82 | ALDH1A1 (0.80) | ALDH1A1LMNANFE2L2L3MBTL1MEN1 | |
| Nitrobenzene SCHEMBL27684754 | 0.82 | ALDH1A1 (0.89) | ALDH1A1LMNANFE2L2L3MBTL1MEN1 | |
| Nitrobenzene SCHEMBL15525745 | 0.82 | ALDH1A1 (1.00) | ALDH1A1LMNANFE2L2L3MBTL1MEN1 | |
| Nitrobenzene SCHEMBL1330825 | 0.82 | — | — | |
| Nitrobenzene SCHEMBL2255264 | 0.82 | ALDH1A1 (1.00) | ALDH1A1LMNANFE2L2L3MBTL1MEN1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103958650-B | Fuel composition | 因诺斯佩克有限公司 | 2016-08-24 | — | — | CN | claimed |
| WO-2024051700-A1 | NOVEL ARYL DEUTERATED BENZYL ETHER SUBSTITUTED HETEROCYCLIC COMPOUND AS GLP1R AGONIST | 德睿智药(苏州)新药研发有限公司 | 2024-03-14 | — | — | WO | disclosed |
| WO-2023029380-A1 | NOVEL ARYL ETHER SUBSTITUTED HETEROCYCLIC COMPOUND AS GLP1R AGONIST | 杭州德睿智药科技有限公司 | 2023-03-09 | — | — | WO | disclosed |
| CN-106749180-A | A kind of method for preparing PARP inhibitor Niraparib | 南京艾德凯腾生物医药有限责任公司 | 2017-05-31 | — | — | CN | disclosed |
| CN-1256334-C | Alkoxycarbonylaminobenzoic acid or alkoxycarbonylaminotetrazolylphenyl derivatives as IP antagonists | HOFFMANN LA ROCHE (CH) | 2006-05-17 | — | — | CN | disclosed |