Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.52 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 4/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | ALB | P02768 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | PLA2G2C | Q5R387 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 4/20 | 0.41 |
| ▸ | CES1 | P23141 | 4/20 | 0.41 |
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 | 0.88 | MCHR1 (0.56) | ALDH1A1MCHR1L3MBTL1HTTLMNA | |
| Undecane SCHEMBL28638565 | 0.88 | MCHR1 (0.56) | ALDH1A1MCHR1L3MBTL1HTTLMNA | |
| Tetradecane SCHEMBL29089041 | 0.88 | MCHR1 (0.56) | ALDH1A1MCHR1L3MBTL1HTTLMNA | |
| Decane SCHEMBL17004268 | 0.88 | MCHR1 (0.56) | ALDH1A1MCHR1L3MBTL1HTTLMNA | |
| Octane SCHEMBL8462698 | 0.88 | MCHR1 (0.56) | ALDH1A1MCHR1L3MBTL1HTTLMNA | |
| Heptane SCHEMBL8501523 | 0.88 | MCHR1 (0.56) | ALDH1A1MCHR1L3MBTL1HTTLMNA | |
| Dodecane SCHEMBL7126605 | 0.88 | MCHR1 (0.56) | ALDH1A1MCHR1L3MBTL1HTTLMNA | |
| Nonane SCHEMBL28716314 | 0.88 | MCHR1 (0.56) | ALDH1A1MCHR1L3MBTL1HTTLMNA | |
| Octane SCHEMBL356741 | 0.88 | MCHR1 (0.56) | ALDH1A1MCHR1L3MBTL1HTTLMNA | |
| Heptane SCHEMBL27143738 | 0.88 | MCHR1 (0.56) | ALDH1A1MCHR1L3MBTL1HTTLMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115703765-A | Substituted triazole derivative, preparation method, pharmaceutical composition and application thereof | 上海赛默罗生物科技有限公司 | 2023-02-17 | — | — | CN | disclosed |