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 | 6/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 3/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | PRSS1 | P07477 | 4/20 | 0.34 |
| ▸ | ACR | P10323 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 3/20 | 0.32 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.32 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7065572 | 1.00 | ALDH1A1 (0.38) | ALDH1A1LMNATDP1MAPTMEN1 | |
| SCHEMBL7062888 | 0.94 | MAPT (0.39) | ALDH1A1LMNATDP1MAPTMEN1 | |
| SCHEMBL7062891 | 0.94 | MAPT (0.39) | ALDH1A1LMNATDP1MAPTMEN1 | |
| SCHEMBL7064845 | 0.93 | MAPT (0.40) | ALDH1A1LMNATDP1MAPTMEN1 | |
| SCHEMBL7064843 | 0.93 | MAPT (0.40) | ALDH1A1LMNATDP1MAPTMEN1 | |
| SCHEMBL7064933 | 0.85 | ALDH1A1 (0.37) | ALDH1A1LMNATDP1MAPTMEN1 | |
| SCHEMBL7064935 | 0.85 | ALDH1A1 (0.37) | ALDH1A1LMNATDP1MAPTMEN1 | |
| SCHEMBL7066726 | 0.84 | ALDH1A1 (0.55) | ALDH1A1LMNATDP1MAPTMEN1 | |
| SCHEMBL7066723 | 0.84 | ALDH1A1 (0.55) | ALDH1A1LMNATDP1MAPTMEN1 | |
| SCHEMBL7065970 | 0.82 | CYP2D6 (0.41) | ALDH1A1LMNATDP1MAPTMEN1 |
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-1313461-A2 | THE USE OF BENZYLIDENEAMINOGUANIDINES AND HYDROXYGUANIDINES AS MELANOCORTIN RECEPTOR LIGANDS | Melacure Therapeutics AB (SE) | 2003-05-28 | — | — | EP | disclosed |
| WO-2002011715-A2 | THE USE OF BENZYLIDENEAMINOGUANIDINES AND HYDROXYGUANIDINES AS MELANOCORTIN RECEPTOR LIGANDS | MELACURE THERAPEUTICS AB (SE) | 2002-02-14 | — | — | WO | disclosed |