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.
Predicted protein targets (top 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7220866 | 0.92 | ESR1 (0.52) | ESR1 | |
| SCHEMBL7218943 | 0.92 | ESR1 (0.52) | ESR1 | |
| SCHEMBL7220901 | 0.90 | ESR1 (0.54) | ESR1 | |
| SCHEMBL7224589 | 0.90 | ESR1 (0.54) | ESR1 | |
| SCHEMBL7225631 | 0.89 | ESR1 (0.43) | ESR1 | |
| SCHEMBL5854553 | 0.86 | ESR1 (0.45) | ESR1 | |
| SCHEMBL5854601 | 0.86 | ESR1 (0.45) | ESR1 | |
| SCHEMBL7220419 | 0.85 | ESR1 (0.44) | ESR1 | |
| SCHEMBL5854406 | 0.84 | ESR1 (0.47) | ESR1 | |
| SCHEMBL5855481 | 0.84 | ESR1 (0.47) | ESR1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6552069-B1 | Having anti-estrogenic activity; for use in therapy | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2003-04-22 | — | — | US | claimed |
| EP-1241166-A1 | 3-METHYL-CHROMAN AND -THIOCHROMAN DERIVATIVES | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2002-09-18 | — | — | EP | claimed |
| US-6552069-B1 | Having anti-estrogenic activity; for use in therapy | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2003-04-22 | — | — | US | disclosed |
| EP-1241166-A1 | 3-METHYL-CHROMAN AND -THIOCHROMAN DERIVATIVES | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2002-09-18 | — | — | EP | disclosed |