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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 4/20 | 0.36 |
| ▸ | CA12 known ✓ | O43570 | 3/20 | 0.36 |
| ▸ | CA1 known ✓ | P00915 | 3/20 | 0.36 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 4/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | GPBAR1 | Q8TDU6 | 4/20 | 0.34 |
| ▸ | PDGFRB | P09619 | 3/20 | 0.34 |
| ▸ | PDGFRA | P16234 | 3/20 | 0.34 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.34 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.34 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.34 |
| ▸ | IKBKB | O14920 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL7693473 | 0.86 | SNCA (0.38) | CA2CA9CA12CA1TDP1 | |
| SCHEMBL7693467 | 0.85 | SNCA (0.38) | CA2CA9CA12CA1TDP1 | |
| SCHEMBL7691271 | 0.80 | TDP1 (0.55) | TDP1LMNA | |
| SCHEMBL7692865 | 0.75 | PDGFRB (0.53) | TDP1BACE1GPBAR1PDGFRBPDGFRA | |
| SCHEMBL7690349 | 0.75 | RPS6KB2 (0.60) | LMNA | |
| SCHEMBL305422 | 0.71 | LMNA (0.56) | TDP1LMNA | |
| SCHEMBL7692730 | 0.69 | KDM4E (0.53) | CA2CA9CA12TDP1PTGS2 | |
| SCHEMBL29576203 | 0.69 | LMNA (0.54) | TDP1LMNA | |
| SCHEMBL3822703 | 0.69 | LMNA (0.54) | TDP1LMNA | |
| SCHEMBL9239577 | 0.69 | LMNA (0.54) | TDP1LMNA |
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-2002094796-A2 | BENZO[G]QUINOXALINE DERIVATIVES AS EFFECTIVE COMPOUNDS AGAINST INFECTIOUS DISEASES | AXXIMA PHARMACEUTICALS AG (DE) | 2002-11-28 | — | — | WO | claimed |
| WO-2002094796-A2 | BENZO[G]QUINOXALINE DERIVATIVES AS EFFECTIVE COMPOUNDS AGAINST INFECTIOUS DISEASES | AXXIMA PHARMACEUTICALS AG (DE) | 2002-11-28 | — | — | WO | disclosed |