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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.49 |
| ▸ | GPR84 | Q9NQS5 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | BTN3A1 | O00481 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | BTK | Q06187 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL916643 | 0.83 | NR1I2 (0.52) | NR1I2GPR84KDM4EHPGDHTR2A | |
| SCHEMBL914661 | 0.81 | NR1I2 (0.55) | NR1I2GPR84KDM4EHPGDHTR2A | |
| SCHEMBL916328 | 0.74 | NPSR1 (0.46) | NR1I2HPGDNPSR1KCNH2MEN1 | |
| SCHEMBL8824524 | 0.72 | HTR2A (0.46) | NR1I2GPR84KDM4EHPGDHTR2A | |
| SCHEMBL915278 | 0.70 | NPSR1 (0.46) | NR1I2HPGDNPSR1KCNH2MEN1 | |
| SCHEMBL915426 | 0.70 | NPSR1 (0.46) | NR1I2HPGDNPSR1KCNH2MEN1 | |
| SCHEMBL11416914 | 0.70 | NPSR1 (0.46) | NR1I2HPGDNPSR1KCNH2MEN1 | |
| SCHEMBL916276 | 0.70 | NPSR1 (0.46) | NR1I2HPGDNPSR1KCNH2MEN1 | |
| Lithium Ion SCHEMBL914766 | 0.70 | NPSR1 (0.46) | NR1I2HPGDNPSR1KCNH2MEN1 | |
| SCHEMBL914643 | 0.70 | NPSR1 (0.46) | NR1I2HPGDNPSR1KCNH2MEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7868126-B2 | Process for producing polyester, polyester produced using said process, and polyester molded product | TOYO BOSEKI KABUSHIKI KAISHA (JP) | 2011-01-11 | — | — | US | disclosed |