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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 14/20 | 0.47 |
| ▸ | CA1 known ✓ | P00915 | 13/20 | 0.47 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.36 |
| ▸ | CSNK2A1 | P68400 | 4/20 | 0.38 |
| ▸ | HIPK2 | Q9H2X6 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8815943 | 0.86 | HTT (0.40) | CA2CA1CA4 | |
| SCHEMBL8007956 | 0.79 | CA2 (0.47) | CA2CA1HIPK2CA4 | |
| SCHEMBL8068463 | 0.79 | CA2 (0.47) | CA2CA1HIPK2CA4 | |
| SCHEMBL11272750 | 0.72 | CA2 (0.54) | CA2CA1CSNK2A1HIPK2CA4 | |
| SCHEMBL5174995 | 0.72 | NMT1 (0.31) | CA2CA1 | |
| SCHEMBL31384797 | 0.69 | CA2 (0.54) | CA2CA1CSNK2A1HIPK2CA4 | |
| SCHEMBL9436583 | 0.69 | CA2 (0.39) | CA2CA1HIPK2CA4 | |
| SCHEMBL9436637 | 0.69 | CA2 (0.33) | CA2CA1HIPK2CA4 | |
| SCHEMBL8007954 | 0.68 | CA2 (0.47) | CA2CA1HIPK2CA4 | |
| SCHEMBL8814202 | 0.67 | HTT (0.41) | CA2CA1CA4 |
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 |
|---|---|---|---|---|---|---|---|
| US-5693672-A | 3,4,5-substituted benzoylguanidines, process for their preparation, their use as a medicament or diagnostic and medicament containing them | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-12-02 | — | — | US | disclosed |
| US-5591754-A | Benzoylguanidines, pharmaceutical composition containing them and treatment of arrthythmias therewith | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-01-07 | — | — | US | disclosed |