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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.33 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.33 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.30 |
| ▸ | SIRT6 | Q8N6T7 | 2/20 | 0.33 |
| ▸ | P4HTM | Q9NXG6 | 3/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | P4HA1 | P13674 | 1/20 | 0.30 |
| ▸ | MIF | P14174 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7767703 | 0.83 | SIRT6 (0.39) | SIRT6CA2CA1P4HTMKDM4E | |
| SCHEMBL241781 | 0.76 | KDM4E (0.48) | SIRT6P4HTMKDM4EALDH1A1HPGD | |
| SCHEMBL3608095 | 0.74 | KCNJ1 (0.44) | SIRT6P4HTMKDM4EALDH1A1HPGD | |
| SCHEMBL16664325 | 0.74 | SIRT6 (0.39) | SIRT6P4HTMKDM4EALDH1A1P4HA1 | |
| Potassium Ion SCHEMBL11741297 | 0.71 | POLB (0.47) | KDM4EALDH1A1HPGD | |
| SCHEMBL31668853 | 0.71 | CA2 (0.46) | CA2CA1P4HTMKDM4EALDH1A1 | |
| Lithium Ion SCHEMBL6078511 | 0.71 | SIRT6 (0.61) | SIRT6CA2CA1P4HTMALDH1A1 | |
| SCHEMBL17820695 | 0.71 | KDM4E (0.33) | SIRT6P4HTMKDM4EALDH1A1 | |
| SCHEMBL428719 | 0.70 | MAPK1 (0.53) | SIRT6CA2CA1KDM4EALDH1A1 | |
| Water SCHEMBL31668852 | 0.70 | CA1 (0.45) | CA2CA1P4HTMKDM4EALDH1A1 |
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-2010048149-A2 | HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE | KALYPSYS, INC. (US) | 2010-04-29 | — | — | WO | disclosed |