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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.33 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.33 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.33 |
| ▸ | GABRA5 known ✓ | P31644 | 2/20 | 0.31 |
| ▸ | GABRB2 known ✓ | P47870 | 2/20 | 0.31 |
| ▸ | GABRA1 known ✓ | P14867 | 1/20 | 0.31 |
| ▸ | GABRA4 known ✓ | P48169 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | GBA1 | P04062 | 6/20 | 0.33 |
| ▸ | GANAB | Q14697 | 1/20 | 0.33 |
| ▸ | PYGL | P06737 | 1/20 | 0.33 |
| ▸ | GBA2 | Q9HCG7 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | GLB1 | P16278 | 1/20 | 0.33 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.31 |
| ▸ | SLC6A12 | P48065 | 2/20 | 0.31 |
| ▸ | SLC6A11 | P48066 | 2/20 | 0.31 |
| ▸ | SLC6A13 | Q9NSD5 | 2/20 | 0.31 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6626298 | 0.96 | — | — | |
| SCHEMBL6626293 | 0.96 | — | — | |
| SCHEMBL15718090 | 0.96 | — | — | |
| SCHEMBL23526897 | 0.96 | — | — | |
| SCHEMBL5868647 | 0.96 | — | — | |
| SCHEMBL23526898 | 0.96 | — | — | |
| SCHEMBL24477576 | 0.83 | CA1 (0.42) | GBA1GANABPYGLGBA2GAA | |
| SCHEMBL24478034 | 0.83 | CA1 (0.42) | GBA1GANABPYGLGBA2GAA | |
| SCHEMBL24478030 | 0.83 | CA1 (0.42) | GBA1GANABPYGLGBA2GAA | |
| SCHEMBL24477578 | 0.83 | CA1 (0.42) | GBA1GANABPYGLGBA2GAA |
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-2001085728-A2 | ANTIBACTERIAL CHIRAL 8-(SUBSTITUTED PIPERIDINO)-BENZO [I, J] QUINOLIZINES, PROCESSES, COMPOSITIONS AND METHODS OF TREATMENT | WOCKHARDT LIMITED (IN) | 2001-11-15 | — | — | WO | disclosed |