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 | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.38 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.38 |
| ▸ | NR3C1 known ✓ | P04150 | 1/20 | 0.36 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.36 |
| ▸ | ADORA1 known ✓ | P30542 | 1/20 | 0.36 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.36 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.36 |
| ▸ | GPR35 | Q9HC97 | 7/20 | 0.41 |
| ▸ | SNCA | P37840 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | TTR | P02766 | 2/20 | 0.36 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.36 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | RARB | P10826 | 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 | |
|---|---|---|---|---|
| SCHEMBL29740138 | 1.00 | GPR35 (0.41) | GPR35SNCACA1CA2ALOX15 | |
| SCHEMBL304939 | 0.79 | GPR35 (0.48) | GPR35SNCAALOX15ALOX12ALDH1A1 | |
| SCHEMBL8650331 | 0.75 | GPR35 (0.48) | GPR35SNCAALOX15ALOX12ALDH1A1 | |
| SCHEMBL1826938 | 0.75 | GPR35 (0.48) | GPR35SNCAALOX15ALOX12ALDH1A1 | |
| SCHEMBL29457573 | 0.74 | GPR35 (0.57) | GPR35SNCACA1CA2ALOX15 | |
| SCHEMBL28728496 | 0.74 | GPR35 (0.57) | GPR35SNCACA1CA2ALOX15 | |
| SCHEMBL23108392 | 0.72 | CA1 (0.50) | GPR35SNCACA1CA2ALOX15 | |
| SCHEMBL21143325 | 0.70 | GPR35 (0.52) | GPR35SNCACA1CA2ALOX15 | |
| SCHEMBL18092979 | 0.70 | GPR35 (0.52) | GPR35CA1CA2ALOX15ALOX12 | |
| SCHEMBL1525716 | 0.70 | GPR35 (0.52) | GPR35CA1CA2ALOX15ALOX12 |
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-4155742-A | CONDENSATION PRODUCT OF A POLYOXYETHYLENE ALKYL, ALKYLPHENYL OR ALKENYL ETHER WITH 1-EPOXYETHYL-3,4-EPOXYCYCLOHEXANE | KAO SOAP CO., LTD. (JP) | 1979-05-22 | — | — | US | disclosed |