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 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | SNCA | P37840 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.39 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.39 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28186626 | 0.78 | ALDH1A1 (0.59) | ALDH1A1LMNAHTTKDM4EMAPT | |
| SCHEMBL5068661 | 0.78 | GAA (0.62) | ALDH1A1LMNAHTTKDM4EMAPT | |
| P-Xylene SCHEMBL8660591 | 0.78 | GAA (0.62) | ALDH1A1LMNAHTTKDM4EMAPT | |
| SCHEMBL1705904 | 0.78 | GAA (0.62) | ALDH1A1LMNAHTTKDM4EMAPT | |
| SCHEMBL31313 | 0.78 | GAA (0.62) | ALDH1A1LMNAHTTKDM4EMAPT | |
| SCHEMBL29991938 | 0.78 | GAA (0.62) | ALDH1A1LMNAHTTKDM4EMAPT | |
| SCHEMBL11432043 | 0.78 | GAA (0.62) | ALDH1A1LMNAHTTKDM4EMAPT | |
| SCHEMBL34 | 0.78 | GAA (0.62) | ALDH1A1LMNAHTTKDM4EMAPT | |
| Cyanide SCHEMBL28700527 | 0.76 | GAA (0.54) | ALDH1A1LMNAHTTKDM4EMAPT | |
| SCHEMBL1594407 | 0.75 | GAA (0.59) | ALDH1A1LMNAHTTKDM4EMAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012025195-A1 | MOLECULAR CATALYSTS BASED ON DINUCLEAR OR POLYNUCLEAR COPPER COMPLEXES | Universität Heidelberg (DE) | 2012-03-01 | — | — | WO | disclosed |