Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Propanol. 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 | |
|---|---|---|---|---|
| Propanol SCHEMBL18109787 | 0.91 | ALDH1A1 (0.47) | — | |
| Propanol SCHEMBL28742663 | 0.86 | — | — | |
| Propanol SCHEMBL27927663 | 0.86 | — | — | |
| Propanol SCHEMBL27372227 | 0.86 | — | — | |
| Propanol SCHEMBL5697781 | 0.86 | — | — | |
| Propanol SCHEMBL1478 | 0.85 | — | — | |
| Propanol SCHEMBL29558344 | 0.85 | — | — | |
| Propanol SCHEMBL15524986 | 0.85 | ALDH1A1 (0.58) | — | |
| Propanol SCHEMBL1133211 | 0.85 | — | — | |
| Propanol SCHEMBL29500448 | 0.85 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7196081-B2 | Compounds with hydroxycarbonyl-halogenoalkyl side chains | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2007-03-27 | — | — | US | disclosed |
| US-20050192449-A1 | Compounds with hydroxycarbonyl-halogenoalkyl side chains | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2005-09-01 | — | — | US | disclosed |
| US-6737417-B2 | AN ANTIESTROGENIC AGENT CONTAININING AROMATIC OR HETEROAROMATIC COMPOUNDS CONTAINING HYDROXYCARBONYL OR METAL SALT- HALOGENOALKYL SIDE CHAIN; USEFUL FOR TREATING BREAST CANCER | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2004-05-18 | — | — | US | disclosed |
| EP-1361205-A1 | Compounds with hydroxycarbonyl-halogenalkyl side chains | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2003-11-12 | — | — | EP | disclosed |
| US-20030130347-A1 | Compounds with hydroxycarbonyl-halogenoalkyl side chains | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2003-07-10 | — | — | US | disclosed |
| US-20030114524-A1 | Compounds with hydroxycarbonyl-halogenoalkyl side chain | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2003-06-19 | — | — | US | disclosed |
| EP-1241158-A1 | COMPOUND HAVING HYDROXYCARBONYL-HALOGENOALKYL SIDE CHAIN | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2002-09-18 | — | — | EP | disclosed |