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 | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 6/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.39 |
| ▸ | CA1 | P00915 | 4/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7065195 | 1.00 | ATM (0.46) | ATMMEN1KMT2ALMNACYP2D6 | |
| SCHEMBL7066007 | 0.87 | GRIN2D (0.43) | ATMMEN1KMT2ALMNACYP2D6 | |
| SCHEMBL7066006 | 0.87 | GRIN2D (0.43) | ATMMEN1KMT2ALMNACYP2D6 | |
| SCHEMBL7064657 | 0.84 | MAPT (0.41) | MEN1KMT2ALMNACYP2D6MAPK1 | |
| SCHEMBL7064664 | 0.84 | MAPT (0.41) | MEN1KMT2ALMNACYP2D6MAPK1 | |
| SCHEMBL7065385 | 0.83 | CYP2D6 (0.39) | ATMMEN1KMT2ALMNACYP2D6 | |
| SCHEMBL7065381 | 0.83 | CYP2D6 (0.39) | ATMMEN1KMT2ALMNACYP2D6 | |
| SCHEMBL7065228 | 0.82 | PTGS2 (0.50) | ATMMEN1KMT2ALMNAMAPK1 | |
| SCHEMBL7065223 | 0.82 | PTGS2 (0.50) | ATMMEN1KMT2ALMNAMAPK1 | |
| SCHEMBL7065653 | 0.81 | ATM (0.38) | ATMMEN1KMT2ALMNACYP2D6 |
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 | claimed |
| WO-2002011715-A2 | THE USE OF BENZYLIDENEAMINOGUANIDINES AND HYDROXYGUANIDINES AS MELANOCORTIN RECEPTOR LIGANDS | MELACURE THERAPEUTICS AB (SE) | 2002-02-14 | — | — | WO | claimed |