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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGLL | Q99685 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.32 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7417413 | 0.85 | MGLL (0.36) | MGLLCYP4F2CYP4A11 | |
| SCHEMBL28016176 | 0.63 | GAA (0.52) | ALDH1A1CYP2D6KDM4ELMNAMAPT | |
| SCHEMBL29184424 | 0.62 | ALDH1A1 (0.56) | ALDH1A1CYP2D6KDM4ELMNAMAPT | |
| Aziridine SCHEMBL5185484 | 0.62 | ALDH1A1 (0.50) | ALDH1A1CYP2D6KDM4ELMNAMAPT | |
| SCHEMBL16975315 | 0.62 | ALDH1A1 (0.50) | ALDH1A1CYP2D6KDM4ELMNAMAPT | |
| SCHEMBL25384115 | 0.61 | NQO1 (0.48) | KDM4EMAPTTDP1 | |
| SCHEMBL28848662 | 0.61 | ALDH1A1 (0.46) | ALDH1A1CYP2D6KDM4ELMNAMAPT | |
| SCHEMBL2268630 | 0.61 | CYP2D6 (0.43) | ALDH1A1CYP2D6KDM4ELMNAMAPT | |
| SCHEMBL20532027 | 0.61 | ALDH1A1 (0.38) | ALDH1A1CYP2D6KDM4ELMNAMAPT | |
| Azetidine SCHEMBL28290955 | 0.61 | ALDH1A1 (0.49) | ALDH1A1CYP2D6KDM4ELMNAMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1047690-A1 | HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | Abbott Laboratories (US) | 2000-11-02 | — | — | EP | disclosed |
| WO-1999032480-A1 | HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | ABBOTT LABORATORIES (US) | 1999-07-01 | — | — | WO | disclosed |