Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Undecane. 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 | |
| Octane SCHEMBL356741 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110105311-B | Synthetic method of sex pheromone intermediate of fall webworm | 浙江师范大学 | 2021-05-25 | — | — | 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-102459268-A | Diazahomoadamantane derivatives and methods of use thereof | ABBOTT LAB | 2012-05-16 | — | — | CN | disclosed |