Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Heptane. 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 | |
| Octane SCHEMBL356741 | 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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118339156-A | 2-Diazo-3-oxo-2, 3-dihydrospiro [ indene-1, 9' -xanthene ] derivatives and similar compounds as photoactive fluorescent compounds for protein labelling | 爱康治疗公司 | 2024-07-12 | — | — | CN | disclosed |
| CN-118103374-A | Heterocyclic compounds | 豪夫迈·罗氏有限公司 | 2024-05-28 | — | — | CN | disclosed |
| CN-118076593-A | 3CLpro protease inhibitors | 上海齐鲁制药研究中心有限公司 | 2024-05-24 | — | — | CN | disclosed |
| EP-4326714-A1 | HETEROCYCLIC COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2024-02-28 | — | — | EP | disclosed |
| CN-117295726-A | Heterocyclic compounds | 豪夫迈·罗氏有限公司 | 2023-12-26 | — | — | CN | disclosed |
| CN-116745291-A | N- (2- (4-cyanothiazolidin-3-yl) -2-oxoethyl) -quinoline-4-carboxamide | 阿斯利康(瑞典)有限公司 | 2023-09-12 | — | — | CN | disclosed |
| EP-4168399-A1 | COMPOUNDS AND THEIR USES AS MIF INHIBITORS | Nanjing Immunophage Biotech Co., Ltd. (CN) | 2023-04-26 | — | — | EP | disclosed |
| WO-2023020523-A1 | BICYCLIC DERIVATIVES AND USE THEREOF | JACOBIO PHARMACEUTICALS CO., LTD. (CN) | 2023-02-23 | — | — | WO | disclosed |
| CN-113999232-A | MAT2A inhibitors | 南京正大天晴制药有限公司 | 2022-02-01 | — | — | CN | disclosed |
| WO-2021258272-A1 | COMPOUNDS AND THEIR USES AS MIF INHIBITORS | Nanjing Immunophage Biotech Co., Ltd. (CN) | 2021-12-30 | — | — | WO | disclosed |
| CN-101035790-B | (1S,5S) -3- (5, 6-dichloropyridin-3-yl) -3, 6-diazabicyclo [3.2.0] heptane benzenesulfonate | ABBOTT LAB | 2012-09-26 | — | — | CN | disclosed |
| CN-101357915-B | Diazabicyclic central nervous system active agents | ABBOTT LAB | 2011-07-06 | — | — | CN | disclosed |
| CN-101935322-A | Diazabicyclic central nervous system active agents | ABBOTT LAB | 2011-01-05 | — | — | CN | disclosed |
| CN-101357915-A | Diazabicyclic central nervous system active agents | ABBOTT LAB (US) | 2009-02-04 | — | — | CN | disclosed |
| CN-100430398-C | Diazabicyclic central nervous system active agents | ABBOTT LAB (US) | 2008-11-05 | — | — | CN | disclosed |
| CN-100355755-C | Diazabicyclic central nervous system active agents | ABBOTT LAB (US) | 2007-12-19 | — | — | CN | disclosed |
| CN-101035790-A | (1S,5S) -3- (5, 6-dichloropyridin-3-yl) -3, 6-diazabicyclo [3.2.0] heptane benzenesulfonate | ABBOTT LAB (US) | 2007-09-12 | — | — | 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 |
| US-5856518-A | Production process of cyclic compound | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 1999-01-05 | — | — | US | disclosed |