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 | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 4/20 | 0.32 |
| ▸ | CA1 known ✓ | P00915 | 4/20 | 0.32 |
| ▸ | CA2 known ✓ | P00918 | 4/20 | 0.32 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.31 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.38 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.37 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.37 |
| ▸ | TGM2 | P21980 | 6/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | DUSP5 | Q16690 | 1/20 | 0.32 |
| ▸ | ITK | Q08881 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 4/20 | 0.32 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.32 |
| ▸ | KMT5A | Q9NQR1 | 1/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.31 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10362407 | 0.88 | SIRT1 (0.38) | ZDHHC20ZDHHC2TGM2GAAITK | |
| SCHEMBL10364004 | 0.86 | TGM2 (0.40) | TGM2ITK | |
| SCHEMBL10809528 | 0.84 | DUSP5 (0.39) | ZDHHC20ZDHHC2TGM2GAADUSP5 | |
| SCHEMBL10363240 | 0.81 | TGM2 (0.37) | ZDHHC20ZDHHC2TGM2GAACA12 | |
| SCHEMBL10362507 | 0.81 | KDM4E (0.45) | ZDHHC20ZDHHC2TGM2S1PR3 | |
| SCHEMBL10809492 | 0.81 | S1PR3 (0.42) | ZDHHC20ZDHHC2TGM2GAAITK | |
| SCHEMBL10362659 | 0.78 | MTNR1A (0.42) | TGM2CA12CA1CA2CA9 | |
| SCHEMBL10362624 | 0.77 | GAA (0.37) | PTPN1ZDHHC20ZDHHC2TGM2GAA | |
| SCHEMBL10362408 | 0.77 | S1PR3 (0.39) | ZDHHC20ZDHHC2TGM2GAAITK | |
| SCHEMBL10805332 | 0.75 | THRB (0.51) | PTPN1TGM2ITK |
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 |