Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Octane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | ALB | P02768 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | CNR2 | P34972 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | SNCA | P37840 | 1/20 | 0.45 |
| ▸ | G6PD | P11413 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Nonane SCHEMBL27767997 | 1.00 | MCHR1 (0.56) | MCHR1ALDH1A1L3MBTL1LMNACYP2C9 | |
| Heptane SCHEMBL27143738 | 1.00 | MCHR1 (0.56) | MCHR1ALDH1A1L3MBTL1LMNACYP2C9 | |
| Undecane SCHEMBL28638565 | 1.00 | MCHR1 (0.56) | MCHR1ALDH1A1L3MBTL1LMNACYP2C9 | |
| Heptane SCHEMBL8501523 | 1.00 | MCHR1 (0.56) | MCHR1ALDH1A1L3MBTL1LMNACYP2C9 | |
| Octane SCHEMBL8462698 | 1.00 | MCHR1 (0.56) | MCHR1ALDH1A1L3MBTL1LMNACYP2C9 | |
| Nonane SCHEMBL28716314 | 1.00 | MCHR1 (0.56) | MCHR1ALDH1A1L3MBTL1LMNACYP2C9 | |
| Tetradecane SCHEMBL29089041 | 1.00 | MCHR1 (0.56) | MCHR1ALDH1A1L3MBTL1LMNACYP2C9 | |
| Dodecane SCHEMBL7126605 | 1.00 | MCHR1 (0.56) | MCHR1ALDH1A1L3MBTL1LMNACYP2C9 | |
| Decane SCHEMBL17004268 | 1.00 | MCHR1 (0.56) | MCHR1ALDH1A1L3MBTL1LMNACYP2C9 | |
| Hexane SCHEMBL7122950 | 0.98 | MCHR1 (0.53) | MCHR1ALDH1A1L3MBTL1LMNACYP2C9 |
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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118103366-A | Certain 2, 5-diazabicyclo [4.2.0] octanes as GLP-1 receptor modulators | 阿斯利康(瑞典)有限公司 | 2024-05-28 | — | — | CN | disclosed |
| CN-110785420-B | Oxazepin derivatives as inhibitors of PI 3-kinase activity | 葛兰素史克知识产权开发有限公司 | 2022-04-26 | — | — | CN | disclosed |
| CN-108884046-B | Chemical compounds as inhibitors of kinase activity | 葛兰素史克知识产权开发有限公司 | 2021-11-09 | — | — | CN | disclosed |
| CN-108383849-B | Imidazoquinazoline derivative and application thereof in anti-tumor and anti-inflammation | 浙江大学 | 2020-11-06 | — | — | CN | disclosed |
| CN-110785420-A | Oxazabenzopyrazole derivatives as inhibitors of PI 3-kinase activity | 葛兰素史克知识产权开发有限公司 | 2020-02-11 | — | — | CN | disclosed |
| CN-103270037-B | Polymorph and the salt of 6-(1H-indoles-4-base)-4-(5-{ [4-(1-methylethyl)-1-piperazinyl] methyl }-1,3-oxazole-2-the base)-1H-indazole of such as respiratory disorder is used for the treatment of as PI3K inhibitor | GLAXO GROUP LTD. (GB) | 2015-10-21 | — | — | CN | disclosed |
| CN-102516241-B | The azabicyclic alkane derivatives of the bicyclic heterocycle the condensed replacement of CNS activity | Abbott Labaoratories (BS) | 2015-07-29 | — | — | CN | disclosed |
| CN-103502239-B | Pyridyl-and pyrazinyl-methyloxy-aryl derivatives useful as spleen tyrosine kinase (SYK) inhibitors | GLAXO GROUP LTD | 2015-07-01 | — | — | CN | disclosed |
| CN-102459253-B | Azole substituted indazole compounds as PI 3-kinase inhibitors | GLAXO GROUP LTD | 2015-03-25 | — | — | CN | disclosed |
| CN-103502239-A | Pyridyl-and pyrazinyl-methyloxy-aryl derivatives useful as spleen tyrosine kinase (SYK) inhibitors | GLAXO GROUP LTD | 2014-01-08 | — | — | CN | disclosed |
| CN-100355755-C | Diazabicyclic central nervous system active agents | ABBOTT LAB (US) | 2007-12-19 | — | — | CN | disclosed |
| CN-101039960-A | Chimeric and humanised monoclonal antibodies against interleukin-13 | GLAXO GROUP LTD (GB) | 2007-09-19 | — | — | CN | disclosed |
| CN-1765899-A | Diazabicyclic central nervous system active agents | ABBOTT LAB (US) | 2006-05-03 | — | — | CN | disclosed |
| CN-1440410-A | Diazabicyclic central nervous system active agents | ABBOTT LAB (US) | 2003-09-03 | — | — | CN | disclosed |
| CN-1312805-A | Benzothiepines having activity as inhibitors of ileal bile acid transport and taurocholate uptake | SEARLE & CO (US) | 2001-09-12 | — | — | CN | disclosed |
| EP-1091953-A1 | NOVEL BENZOTHIEPINES HAVING ACTIVITY AS INHIBITORS OF ILEAL BILE ACID TRANSPORT AND TAUROCHOLATE UPTAKE | G.D. Searle & Co. (US) | 2001-04-18 | — | — | EP | disclosed |
| WO-2000001687-A9 | BENZOTHIEPINES HAVING ACTIVITY AS INHIBITORS OF ILEAL BILE ACID TRANSPORT AND TAUROCHOLATE UPTAKE | SEARLE & CO (US) | 2000-07-20 | — | — | WO | disclosed |
| WO-2000001687-A1 | BENZOTHIEPINES HAVING ACTIVITY AS INHIBITORS OF ILEAL BILE ACID TRANSPORT AND TAUROCHOLATE UPTAKE | G.D. SEARLE & CO. (US) | 2000-01-13 | — | — | WO | disclosed |
| WO-1999065492-A1 | INHIBITION OF SEROTONIN REUPTAKE | ELI LILLY AND COMPANY (US) | 1999-12-23 | — | — | WO | disclosed |
| US-5922793-A | NOVEL NUCLEATING OR CLARIFYING AGENTS COMPRISING A SULFONIC ACID SALT OF AN AMINE OR AMIDE CONTAINED IN VARIOUS N-HETEROCYCLIC, OPTIONALLY FUSED RINGS | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1999-07-13 | — | — | US | disclosed |