Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Vadimezan. 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 | |
|---|---|---|---|---|
| ▸ | GLA | P06280 | 1/20 | 0.77 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.77 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | PON1 | P27169 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NQO1 | P15559 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | ATP1A1 | P05023 | 1/20 | 0.37 |
| ▸ | ATP1B1 | P05026 | 1/20 | 0.37 |
| ▸ | ATP1A3 | P13637 | 1/20 | 0.37 |
| ▸ | ATP1B2 | P14415 | 1/20 | 0.37 |
| ▸ | ATP1A2 | P50993 | 1/20 | 0.37 |
| ▸ | ATP1B3 | P54709 | 1/20 | 0.37 |
| ▸ | FXYD2 | P54710 | 1/20 | 0.37 |
| ▸ | ATP1A4 | Q13733 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Vadimezan SCHEMBL29356696 | 0.87 | STING1 (1.00) | GLASTING1KDM4EMCL1PON1 | |
| Vadimezan SCHEMBL29363732 | 0.87 | STING1 (1.00) | GLASTING1KDM4EMCL1PON1 | |
| SCHEMBL13025119 | 0.87 | GLA (0.81) | GLASTING1KDM4EMCL1PON1 | |
| Vadimezan SCHEMBL111183 | 0.87 | STING1 (1.00) | GLASTING1KDM4EMCL1PON1 | |
| Vadimezan SCHEMBL4282923 | 0.86 | STING1 (0.97) | GLASTING1KDM4EMCL1PON1 | |
| SCHEMBL19209663 | 0.86 | GLA (0.79) | GLASTING1KDM4EMCL1PON1 | |
| SCHEMBL20845573 | 0.86 | GLA (0.79) | GLASTING1KDM4EMCL1PON1 | |
| Vadimezan SCHEMBL4282930 | 0.86 | STING1 (0.97) | GLASTING1KDM4EMCL1PON1 | |
| SCHEMBL23900884 | 0.84 | GLA (0.75) | GLASTING1KDM4EMCL1PON1 | |
| SCHEMBL12677568 | 0.84 | GLA (0.75) | GLASTING1KDM4EMCL1PON1 |
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 4 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 |
| CN-101195609-B | Method for producing 5,6-dimethyl xanthenone-4-acetic acid, derivant and pharmaceutical formulation produced with the method | WUHAN GRAND PHARMACEUTICAL GROUP CO LTD | 2011-04-20 | — | — | CN | disclosed |
| WO-2009156459-A1 | ORGANIC COMPOUNDS | NOVARTIS AG (CH) | 2009-12-30 | — | — | WO | disclosed |
| CN-101195609-A | Method for producing 5,6-dimethyl xanthenone-4-acetic acid, derivant and pharmaceutical formulation produced with the method | WUHAN YUANDA PHARMACY GROUP CO (CN) | 2008-06-11 | — | — | CN | disclosed |