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 | |
|---|---|---|---|---|
| ▸ | ATP4A known ✓ | P20648 | 2/20 | 0.33 |
| ▸ | ATP4B known ✓ | P51164 | 2/20 | 0.33 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.33 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | DDAH1 | O94760 | 2/20 | 0.34 |
| ▸ | ENGASE | Q8NFI3 | 2/20 | 0.34 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.34 |
| ▸ | IDO2 | Q6ZQW0 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | WDR5 | P61964 | 2/20 | 0.33 |
| ▸ | ATP1A1 | P05023 | 2/20 | 0.33 |
| ▸ | ATP1B1 | P05026 | 2/20 | 0.33 |
| ▸ | ATP1A3 | P13637 | 2/20 | 0.33 |
| ▸ | ATP1B2 | P14415 | 2/20 | 0.33 |
| ▸ | ATP1A2 | P50993 | 2/20 | 0.33 |
| ▸ | ATP1B3 | P54709 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4796445 | 0.83 | PDE10A (0.33) | CYP2C9DDAH1ENGASESARM1IDO2 | |
| SCHEMBL3770559 | 0.82 | CYP2C9 (0.37) | CYP2C9DDAH1ENGASESARM1IDO2 | |
| SCHEMBL7841398 | 0.80 | CYP2C9 (0.41) | CYP2C9DDAH1ENGASEALDH1A1KMT2A | |
| SCHEMBL13008023 | 0.76 | CYP2C9 (0.37) | CYP2C9DDAH1ENGASESARM1IDO2 | |
| SCHEMBL4894942 | 0.76 | TSHR (0.34) | CYP2C9DDAH1ENGASESARM1IDO2 | |
| SCHEMBL7856584 | 0.75 | CYP2C9 (0.44) | CYP2C9DDAH1ENGASEALDH1A1KMT2A | |
| SCHEMBL7854524 | 0.75 | CYP2C9 (0.37) | CYP2C9DDAH1ENGASEALDH1A1KMT2A | |
| SCHEMBL7857124 | 0.75 | KDM4E (0.42) | CYP2C9ALDH1A1KMT2ALMNAKDM4E | |
| SCHEMBL7854118 | 0.75 | CYP2C9 (0.43) | CYP2C9DDAH1ENGASEALDH1A1KMT2A | |
| SCHEMBL7841625 | 0.74 | CYP2C9 (0.40) | CYP2C9DDAH1ENGASEALDH1A1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008036201-A1 | PRODRUGS OF PROTON PUMP INHIBITORS INCLUDING THE 1H-IMIDAZO[4,5-B] PYRIDINE MOIETY | ALEVIUM PHARMACEUTICALS, INC. (US) | 2008-03-27 | — | — | WO | disclosed |