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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 6/20 | 0.37 |
| ▸ | CA2 known ✓ | P00918 | 6/20 | 0.37 |
| ▸ | HIPK2 | Q9H2X6 | 10/20 | 0.47 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17393220 | 0.89 | HIPK2 (0.44) | HIPK2CSNK2A1PARP1 | |
| SCHEMBL3272927 | 0.89 | HIPK2 (0.48) | HIPK2CA1CA2CSNK2A1PARP1 | |
| Zinc Ion SCHEMBL15387821 | 0.85 | HIPK2 (0.44) | HIPK2CA1CA2CSNK2A1 | |
| SCHEMBL1602216 | 0.84 | CDC25B (0.44) | CA1CA2 | |
| SCHEMBL31425591 | 0.83 | HIPK2 (0.34) | HIPK2CA1CA2 | |
| SCHEMBL2936314 | 0.79 | LCK (0.51) | CA1CA2 | |
| SCHEMBL9337233 | 0.79 | HIPK2 (0.48) | HIPK2CSNK2A1PARP1 | |
| SCHEMBL31042657 | 0.79 | HIPK2 (0.48) | HIPK2CSNK2A1PARP1 | |
| SCHEMBL30014607 | 0.77 | NPSR1 (0.42) | — | |
| SCHEMBL1724615 | 0.77 | NPSR1 (0.42) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7759450-B2 | Polytrimethylene terephthalate resin and method for producing the same | ASAHI KASEI CHEMICALS CORPORATION (JP) | 2010-07-20 | — | — | US | disclosed |
| EP-1491569-B1 | POLYTRIMETHYLENE TEREPHTHALATE RESIN | ASAHI CHEMICAL IND (JP) | 2007-12-12 | — | — | EP | disclosed |
| US-7198846-B2 | Polytrimethylene terephthalate resin | ASAHI KASEI KABUSHIKI KAISHA (JP) | 2007-04-03 | — | — | US | disclosed |
| US-20060128905-A1 | Polytrimethylene terephthalate resin and method for production thereof | ASAHI KASEI CHEMICALS CORPORATION (JP) | 2006-06-15 | — | — | US | disclosed |
| US-20060058497-A1 | Polytrimethylene terephthalate resin | ASAHI KASEI KABUSHIKI KAISHA (JP) | 2006-03-16 | — | — | US | disclosed |
| EP-1571171-A1 | POLYTRIMETHYLENE TEREPHTHALATE RESIN AND METHOD FOR PRODUCTION THEREOF | Asahi Kasei Chemicals Corporation (JP) | 2005-09-07 | — | — | EP | disclosed |