Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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.
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 | |
|---|---|---|---|---|
| SCHEMBL9677524 | 0.70 | MEN1 (0.31) | — | |
| SCHEMBL468366 | 0.70 | ALDH1A1 (0.36) | — | |
| SCHEMBL2682467 | 0.69 | PDE10A (0.32) | — | |
| Ammonia Solution, Strong SCHEMBL9646819 | 0.67 | ALDH1A1 (0.43) | — | |
| Potassium SCHEMBL8421932 | 0.67 | ALDH1A1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL27691899 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL9647771 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL7759535 | 0.65 | PDE10A (0.39) | — | |
| SCHEMBL9721075 | 0.65 | — | — | |
| SCHEMBL5849008 | 0.64 | ALDH1A1 (0.46) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0952997-B1 | POLYMERIZATION OF OLEFINS | DU PONT (US) | 2004-08-11 | — | — | EP | disclosed |
| US-6613915-B1 | Nickel (II) complexes of certain monoanionic bidentate ligands; pyrrole-2-imine ligand intermediate | E. I. DU PONT DE NEMOURS AND COMPANY | 2003-09-02 | — | — | US | disclosed |
| US-6174975-B1 | ADDITION POLYMERIZATION, CATALYSTS AND COORDINATION COMPOUNDS | E.I. DU PONT DE NEMOURS AND COMPANY | 2001-01-16 | — | — | US | disclosed |
| EP-0952997-A1 | POLYMERIZATION OF OLEFINS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1999-11-03 | — | — | EP | disclosed |
| WO-1998030609-A1 | POLYMERIZATION OF OLEFINS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1998-07-16 | — | — | WO | disclosed |