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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.44 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.41 |
| ▸ | PPARG known ✓ | P37231 | 2/20 | 0.38 |
| ▸ | THRA known ✓ | P10827 | 1/20 | 0.35 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.35 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.42 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.42 |
| ▸ | GPR84 | Q9NQS5 | 4/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | MMP8 | P22894 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11871964 | 1.00 | CA2 (0.44) | CA2TAS1R3TAS1R1CA1GPR84 | |
| SCHEMBL11346880 | 0.86 | LMNA (0.45) | TAS1R3TAS1R1GPR84FFAR1LMNA | |
| SCHEMBL8661336 | 0.86 | LMNA (0.45) | TAS1R3TAS1R1GPR84FFAR1LMNA | |
| SCHEMBL8661344 | 0.82 | ZDHHC7 (0.44) | CA2TAS1R3TAS1R1CA1PPARG | |
| SCHEMBL10964444 | 0.81 | CA2 (0.50) | CA2CA1GPR84PPARGMMP9 | |
| SCHEMBL7773019 | 0.79 | S1PR2 (0.45) | CA2TAS1R3TAS1R1CA1 | |
| Zinc Ion SCHEMBL15124397 | 0.78 | ASAH1 (0.47) | CA2CA1MMP9 | |
| SCHEMBL1043346 | 0.78 | ASAH1 (0.47) | CA2CA1MMP9 | |
| SCHEMBL11982047 | 0.77 | TAS1R3 (0.44) | CA2TAS1R3TAS1R1 | |
| SCHEMBL5935045 | 0.77 | CES2 (0.46) | CA2CA1PPARGMMP9 |
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-5849215-A | Highly ordered nanocomposites via a monomer self-assembly in situ condensation approach | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1998-12-15 | — | — | US | disclosed |