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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LPAR1 | Q92633 | 8/20 | 0.43 |
| ▸ | LPAR4 | Q99677 | 4/20 | 0.43 |
| ▸ | LPAR2 | Q9HBW0 | 4/20 | 0.43 |
| ▸ | LPAR3 | Q9UBY5 | 4/20 | 0.43 |
| ▸ | LPAR5 | Q9H1C0 | 4/20 | 0.43 |
| ▸ | ENPP2 | Q13822 | 3/20 | 0.43 |
| ▸ | LPAR6 | P43657 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.39 |
| ▸ | P2RY10 | O00398 | 3/20 | 0.38 |
| ▸ | GPR174 | Q9BXC1 | 3/20 | 0.38 |
| ▸ | GPR34 | Q9UPC5 | 2/20 | 0.38 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.36 |
| ▸ | PTAFR | P25105 | 1/20 | 0.36 |
| ▸ | HTR1D | P28221 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Potassium Ion SCHEMBL10656899 | 0.98 | LPAR1 (0.43) | LPAR1LPAR4LPAR2LPAR3LPAR5 | |
| SCHEMBL10655639 | 0.88 | TSHR (0.51) | LPAR1LPAR4LPAR2LPAR3LPAR5 | |
| SCHEMBL10659722 | 0.88 | TSHR (0.51) | LPAR1LPAR4LPAR2LPAR3LPAR5 | |
| SCHEMBL10661481 | 0.85 | TSHR (0.43) | LPAR1LPAR4LPAR2LPAR3LPAR5 | |
| SCHEMBL17941650 | 0.79 | TSHR (0.61) | TSHR | |
| SCHEMBL21853812 | 0.79 | TSHR (0.61) | TSHR | |
| SCHEMBL7082106 | 0.79 | TSHR (0.61) | TSHR | |
| SCHEMBL21404264 | 0.79 | TSHR (0.61) | TSHR | |
| SCHEMBL21853805 | 0.79 | TSHR (0.61) | TSHR | |
| SCHEMBL21853803 | 0.79 | TSHR (0.61) | TSHR |
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-4736051-A | REACTING MONOALKALI SALT OF ORGANOPHOSPHORIC MONOESTER WITH EPOXY COMPOUND | KAO CORPORATION (JP) | 1988-04-05 | — | — | US | disclosed |