Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.46 |
| ▸ | NOS1 | P29475 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TYMS | P04818 | 1/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CYP2E1 | P05181 | 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 | |
|---|---|---|---|---|
| SCHEMBL30849345 | 0.93 | DDAH1 (0.46) | CYP2A6ALDH1A1CYP3A4CYP1A2DDAH1 | |
| SCHEMBL11479924 | 0.93 | DDAH1 (0.46) | CYP2A6ALDH1A1CYP3A4CYP1A2DDAH1 | |
| SCHEMBL28034439 | 0.91 | DDAH1 (0.64) | CYP2A6ALDH1A1CYP3A4CYP1A2DDAH1 | |
| SCHEMBL11111047 | 0.85 | NR1H2 (0.56) | CYP2A6ALDH1A1CYP3A4CYP1A2DDAH1 | |
| SCHEMBL30038506 | 0.85 | CYP19A1 (0.41) | CYP2A6ALDH1A1CYP3A4CYP1A2DDAH1 | |
| SCHEMBL8361638 | 0.85 | LMNA (0.45) | CYP2A6ALDH1A1CYP3A4CYP1A2LMNA | |
| SCHEMBL16056837 | 0.84 | CYP2A6 (0.43) | CYP2A6ALDH1A1CYP3A4CYP1A2NOS1 | |
| SCHEMBL29896037 | 0.83 | ALDH1A1 (0.50) | CYP2A6ALDH1A1CYP3A4CYP1A2KDM4E | |
| SCHEMBL2829221 | 0.83 | ALDH1A1 (0.50) | CYP2A6ALDH1A1CYP3A4CYP1A2KDM4E | |
| SCHEMBL3927689 | 0.83 | ALDH1A1 (0.42) | CYP2A6ALDH1A1CYP3A4CYP1A2KDM4E |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111303150-A | High-efficiency narrow-half-peak-width aggregation state luminescent material | 苏州大学 | 2020-06-19 | — | — | CN | claimed |
| CN-117800886-A | Method for synthesizing NH, NH-dithioimine | 西安近代化学研究所 | 2024-04-02 | — | — | CN | disclosed |
| CN-111303150-B | High-efficiency narrow-half-peak-width aggregation state luminescent material | 苏州大学 | 2021-10-19 | — | — | CN | disclosed |
| CN-111303150-A | High-efficiency narrow-half-peak-width aggregation state luminescent material | 苏州大学 | 2020-06-19 | — | — | CN | disclosed |
| CN-104803898-A | Aryl-alkyl and aryl-aryl thioether compound and synthesis method thereof | UNIV EAST CHINA NORMAL | 2015-07-29 | — | — | CN | disclosed |
| CN-104725172-A | Synthetic method of aryl sulfide type compound | UNIV EAST CHINA NORMAL | 2015-06-24 | — | — | CN | disclosed |
| CN-104045589-A | Aryl alkyl thioether compound and synthetic method thereof | UNIV EAST CHINA NORMAL | 2014-09-17 | — | — | CN | disclosed |
| CN-1747951-A | Novel 2-pyridinecarboxamide derivatives | BANYU PHARMA CO LTD (JP) | 2006-03-15 | — | — | CN | disclosed |
| EP-0336143-B1 | A NEW PROCESS FOR CARBAPENEM INTERMEDIATES | SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) | 1993-06-09 | — | — | EP | disclosed |
| US-4960879-A | REACTING SUBSTITUTED AZETIDINONE WITH TRANS SUBSTITUTED-METHYL ALKYLACRYLIC ACID AND REDUCING METAL | SHIONOGI & CO., LTD. (JP) | 1990-10-02 | — | — | US | disclosed |
| EP-0336143-A1 | A new process for carbapenem intermediates | SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) | 1989-10-11 | — | — | EP | disclosed |