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 | |
|---|---|---|---|---|
| ▸ | THRB known ✓ | P10828 | 2/20 | 0.34 |
| ▸ | P2RY4 known ✓ | P51582 | 2/20 | 0.34 |
| ▸ | P2RY2 known ✓ | P41231 | 1/20 | 0.34 |
| ▸ | P2RY12 known ✓ | Q9H244 | 1/20 | 0.34 |
| ▸ | PKLR | P30613 | 10/20 | 0.44 |
| ▸ | PGAM1 | P18669 | 4/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.44 |
| ▸ | TGM2 | P21980 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CCR6 | P51684 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | LCK | P06239 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.34 |
| ▸ | LIMK2 | P53671 | 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 | |
|---|---|---|---|---|
| SCHEMBL11036931 | 0.90 | PGAM1 (0.42) | PKLRPGAM1PTPN1TGM2ALDH1A1 | |
| SCHEMBL10805774 | 0.80 | TGM2 (0.43) | PKLRTGM2KMT2A | |
| SCHEMBL10810349 | 0.77 | TGM2 (0.42) | TGM2KMT2AALDH1A1 | |
| SCHEMBL10363169 | 0.76 | TGM2 (0.42) | TGM2 | |
| SCHEMBL10809528 | 0.75 | DUSP5 (0.39) | TGM2 | |
| SCHEMBL10362624 | 0.75 | GAA (0.37) | PTPN1TGM2 | |
| SCHEMBL10805213 | 0.75 | TGM2 (0.33) | TGM2MEN1KMT2A | |
| SCHEMBL10364797 | 0.74 | TGM2 (0.45) | PTPN1TGM2MEN1POLBKMT2A | |
| SCHEMBL10805447 | 0.73 | TGM2 (0.42) | TGM2MEN1POLBBLMKMT2A | |
| SCHEMBL10807361 | 0.73 | TGM2 (0.42) | PKLRTGM2MEN1KMT2AALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4649219-A | CROSSLINKERS, ADHESIVES, PAINTS | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1987-03-10 | — | — | US | disclosed |
| EP-0155177-A2 | Unsaturated cyclic amido-substituted ether compounds and preparation process thereof | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1985-09-18 | — | — | EP | disclosed |