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 | |
|---|---|---|---|---|
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.33 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.33 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.51 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ATP1A1 | P05023 | 2/20 | 0.36 |
| ▸ | ATP1B1 | P05026 | 2/20 | 0.36 |
| ▸ | ATP1A3 | P13637 | 2/20 | 0.36 |
| ▸ | ATP1B2 | P14415 | 2/20 | 0.36 |
| ▸ | ATP1A2 | P50993 | 2/20 | 0.36 |
| ▸ | ATP1B3 | P54709 | 2/20 | 0.36 |
| ▸ | FXYD2 | P54710 | 2/20 | 0.36 |
| ▸ | ATP1A4 | Q13733 | 2/20 | 0.36 |
| ▸ | LTB4R | Q15722 | 3/20 | 0.36 |
| ▸ | TTR | P02766 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4563524 | 0.87 | STING1 (0.67) | GLASTING1KDM4EATP1A1ATP1B1 | |
| SCHEMBL4422470 | 0.86 | STING1 (0.65) | GLASTING1KDM4EATP1A1ATP1B1 | |
| SCHEMBL4422473 | 0.86 | STING1 (0.65) | GLASTING1KDM4EATP1A1ATP1B1 | |
| Vadimezan SCHEMBL4282927 | 0.81 | GLA (0.77) | GLASTING1KDM4EATP1A1ATP1B1 | |
| SCHEMBL4563526 | 0.75 | MAPT (0.42) | GLASTING1KDM4ELTB4RGAA | |
| SCHEMBL4422467 | 0.74 | MAPT (0.42) | GLASTING1KDM4ELTB4RGAA | |
| SCHEMBL20763371 | 0.73 | STING1 (0.64) | GLASTING1KDM4EATP1A1ATP1B1 | |
| SCHEMBL27708234 | 0.72 | KDM4E (0.51) | GLASTING1KDM4ETTRPTGS2 | |
| SCHEMBL20762977 | 0.71 | STING1 (0.62) | GLASTING1KDM4EATP1A1ATP1B1 | |
| SCHEMBL20762975 | 0.71 | STING1 (0.62) | GLASTING1KDM4EATP1A1ATP1B1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009156459-A1 | ORGANIC COMPOUNDS | NOVARTIS AG (CH) | 2009-12-30 | — | — | WO | claimed |
| WO-2009156459-A1 | ORGANIC COMPOUNDS | NOVARTIS AG (CH) | 2009-12-30 | — | — | WO | disclosed |