Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 8/20 | 0.62 |
| ▸ | CES1 | P23141 | 5/20 | 0.62 |
| ▸ | CES2 | O00748 | 5/20 | 0.62 |
| ▸ | MEN1 | O00255 | 2/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.56 |
| ▸ | PPARG | P37231 | 4/20 | 0.52 |
| ▸ | PPARD | Q03181 | 4/20 | 0.52 |
| ▸ | PPARA | Q07869 | 4/20 | 0.52 |
| ▸ | TSHR | P16473 | 3/20 | 0.52 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.52 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.52 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.52 |
| ▸ | TLR2 | O60603 | 1/20 | 0.52 |
| ▸ | ESR1 | P03372 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Tridecane SCHEMBL27500702 | 1.00 | FAAH (0.62) | FAAHCES1CES2MEN1KMT2A | |
| Decane SCHEMBL3416451 | 1.00 | FAAH (0.62) | FAAHCES1CES2MEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL28781369 | 1.00 | FAAH (0.62) | FAAHCES1CES2MEN1KMT2A | |
| Dodecane SCHEMBL30416006 | 1.00 | FAAH (0.62) | FAAHCES1CES2MEN1KMT2A | |
| Nonane SCHEMBL4255344 | 1.00 | FAAH (0.62) | FAAHCES1CES2MEN1KMT2A | |
| Heptane SCHEMBL3935940 | 1.00 | FAAH (0.62) | FAAHCES1CES2MEN1KMT2A | |
| Hexadecane SCHEMBL4765353 | 1.00 | FAAH (0.62) | FAAHCES1CES2MEN1KMT2A | |
| Octane SCHEMBL1123657 | 1.00 | FAAH (0.62) | FAAHCES1CES2MEN1KMT2A | |
| Octane SCHEMBL1696265 | 1.00 | FAAH (0.62) | FAAHCES1CES2MEN1KMT2A | |
| Heptane SCHEMBL28333176 | 1.00 | FAAH (0.62) | FAAHCES1CES2MEN1KMT2A |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113288892-B | Use of poly ADP-ribose polymerase inhibitors against coronaviruses | 甫康（上海）健康科技有限责任公司 | 2024-04-26 | — | — | CN | disclosed |
| CN-117580830-A | Novel pyridine-sulfonamide derivatives as sigma ligands | 塔拉森调理公司 | 2024-02-20 | — | — | CN | disclosed |
| CN-111793077-B | PD-1/PD-L1 small molecule inhibitor and application thereof in medicines | 东莞市东阳光新药研发有限公司 | 2023-08-04 | — | — | CN | disclosed |
| CN-107849017-B | 1,1, 1-trifluoro-3-hydroxypropan-2-ylcarbamate derivatives and 1,1, 1-trifluoro-4-hydroxybutyl-2-ylcarbamate derivatives as MAGL inhibitors | 辉瑞公司 | 2021-03-30 | — | — | CN | disclosed |
| CN-111793077-A | PD-1/PD-L1 small-molecule inhibitor and application thereof in medicines | 东莞市东阳光新药研发有限公司 | 2020-10-20 | — | — | CN | disclosed |
| CN-107849017-A | 1,1, 1-trifluoro-3-hydroxypropan-2-ylcarbamate derivatives and 1,1, 1-trifluoro-4-hydroxybutyl-2-ylcarbamate derivatives as MAG L inhibitors | 辉瑞公司 | 2018-03-27 | — | — | CN | disclosed |
| CN-106459093-A | Alkyl and aryl derivatives of 1-oxa-4, 9-diazaspiro undecane compounds having multimodal anti-pain activity | 埃斯蒂文博士实验室股份有限公司 | 2017-02-22 | — | — | CN | disclosed |
| CN-104136442-B | Pyrans spirocyclic piperidine amide-type as ion channel modulators | 沃泰克斯药物股份有限公司 | 2016-12-21 | — | — | CN | disclosed |
| CN-101415686-B | Amide substituted indazole and benzotriazole derivatives as poly(ADP-ribose)polymerase (PARP) inhibitors | ANGELETTI P IST RICHERCHE BIO | 2013-03-13 | — | — | CN | disclosed |
| CN-102459268-A | Diazahomoadamantane derivatives and methods of use thereof | ABBOTT LAB | 2012-05-16 | — | — | CN | disclosed |
| CN-102007108-A | Inhibitors of chemokine receptor CxCR3 | SANOFI AVENTIS | 2011-04-06 | — | — | CN | disclosed |
| WO-2010151815-A2 | 3,9-DIAZASPIRO[5,5]UNDECANE AMIDES AND UREAS AND METHODS OF USE THEREOF | ABBOTT LABORATORIES (US) | 2010-12-29 | — | — | WO | disclosed |
| CN-101415686-A | Amide substituted indazole and benzotriazole derivatives as poly(ADP-ribose)polymerase (PARP) inhibitors | ANGELETTI P IST RICHERCHE BIO (IT) | 2009-04-22 | — | — | CN | disclosed |
| CN-101305005-A | Novel diazaspiroalkanes and their use for treatment of CCR8 mediated diseases | ASTRAZENECA AB (SE) | 2008-11-12 | — | — | CN | disclosed |
| EP-1926730-A1 | NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES | AstraZeneca AB (SE) | 2008-06-04 | — | — | EP | disclosed |
| WO-2007030061-A1 | NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES | ASTRAZENECA AB (SE) | 2007-03-15 | — | — | WO | disclosed |
| CN-1898239-A | Novel diazaspiroalkanes and their use in the treatment of CCR8 mediated diseases | ASTRAZENECA AB (SE) | 2007-01-17 | — | — | CN | disclosed |