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 | |
|---|---|---|---|---|
| ▸ | TLR4 known ✓ | O00206 | 1/20 | 0.40 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.39 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | CTSL | P07711 | 1/20 | 0.45 |
| ▸ | CTSB | P07858 | 1/20 | 0.45 |
| ▸ | CTSK | P43235 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CPB1 | P15086 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.42 |
| ▸ | DPP4 | P27487 | 6/20 | 0.41 |
| ▸ | DPP7 | Q9UHL4 | 6/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | TGM2 | P21980 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1933158 | 0.90 | ALDH1A1 (0.54) | ALDH1A1GAACTSLCTSBCTSK | |
| SCHEMBL1933160 | 0.90 | ALDH1A1 (0.54) | ALDH1A1GAACTSLCTSBCTSK | |
| SCHEMBL9950395 | 0.77 | ALDH1A1 (0.50) | ALDH1A1GAACTSLCTSBCTSK | |
| SCHEMBL9950324 | 0.77 | ALDH1A1 (0.50) | ALDH1A1GAACTSLCTSBCTSK | |
| SCHEMBL25935100 | 0.73 | ALDH1A1 (0.57) | ALDH1A1GAACTSLCTSBCTSK | |
| SCHEMBL15221619 | 0.73 | ALDH1A1 (0.65) | ALDH1A1GAACTSLCTSBCTSK | |
| SCHEMBL15221598 | 0.73 | ALDH1A1 (0.65) | ALDH1A1GAACTSLCTSBCTSK | |
| SCHEMBL9470730 | 0.73 | ALDH1A1 (0.65) | ALDH1A1GAACTSLCTSBCTSK | |
| SCHEMBL13580104 | 0.72 | ALDH1A1 (0.62) | ALDH1A1GAACTSLCTSBCTSK | |
| SCHEMBL12333457 | 0.72 | ALDH1A1 (0.60) | ALDH1A1GAACTSLCTSBCTSK |
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 |
|---|---|---|---|---|---|---|---|
| EP-2475668-A1 | ETHER DERIVATIVES OF BICYCLIC HETEROARYLS | Novartis AG (CH) | 2012-07-18 | — | — | EP | disclosed |
| WO-2011029915-A1 | ETHER DERIVATIVES OF BICYCLIC HETEROARYLS | NOVARTIS AG (CH) | 2011-03-17 | — | — | WO | disclosed |