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 | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | MPI | P34949 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | KDM1A | O60341 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | OXTR | P30559 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7747544 | 1.00 | LMNA (0.51) | LMNAMAPTKDM4ESMN1; SMN2GAA | |
| SCHEMBL2065810 | 0.88 | NOX4 (0.49) | LMNAMAPTKDM4ESMN1; SMN2GAA | |
| SCHEMBL2065807 | 0.88 | NOX4 (0.49) | LMNAMAPTKDM4ESMN1; SMN2GAA | |
| SCHEMBL6744649 | 0.83 | GAA (0.71) | LMNAMAPTKDM4ESMN1; SMN2GAA | |
| SCHEMBL6744652 | 0.83 | GAA (0.71) | LMNAMAPTKDM4ESMN1; SMN2GAA | |
| SCHEMBL7748727 | 0.82 | NCOA1 (0.51) | MAPTKDM4ESMN1; SMN2GAAL3MBTL1 | |
| SCHEMBL7748730 | 0.82 | NCOA1 (0.51) | MAPTKDM4ESMN1; SMN2GAAL3MBTL1 | |
| Hydrochloric Acid SCHEMBL6843998 | 0.81 | GAA (0.69) | LMNAMAPTKDM4ESMN1; SMN2GAA | |
| Hydrochloric Acid SCHEMBL6843997 | 0.81 | GAA (0.69) | LMNAMAPTKDM4ESMN1; SMN2GAA | |
| SCHEMBL914347 | 0.81 | CA12 (0.40) | LMNAMAPTKDM4ESMN1; SMN2GAA |
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-2001025192-A1 | GUANIDINE DERIVATIVES AND THEIR USE IN THE PRODUCTION OF A MEDICAMENT FOR BLOCKING XANTHINE OXIDASE/DEHYDROGENASE | MELACURE THERAPEUTICS AB (SE) | 2001-04-12 | — | — | WO | disclosed |