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 | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.44 |
| ▸ | GMNN | O75496 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | THPO | P40225 | 1/20 | 0.44 |
| ▸ | HBB | P68871 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | FABP3 | P05413 | 7/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.37 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL16719246 | 1.00 | CA1 (0.44) | CA1GMNNALDH1A1LMNATP53 | |
| SCHEMBL2289483 | 0.95 | FABP3 (0.39) | CA1GMNNALDH1A1LMNATP53 | |
| SCHEMBL5022357 | 0.91 | CA1 (0.48) | CA1GMNNALDH1A1LMNATP53 | |
| Decanoic Acid SCHEMBL28321982 | 0.90 | CA1 (0.57) | CA1FABP3EPHX2 | |
| Myristic Acid SCHEMBL10384943 | 0.90 | CA1 (0.57) | CA1FABP3EPHX2 | |
| Lithium Ion SCHEMBL2524489 | 0.86 | CA1 (0.42) | CA1GMNNALDH1A1LMNATP53 | |
| SCHEMBL17873523 | 0.82 | CA1 (0.44) | CA1FABP3EPHX2HDAC3HDAC1 | |
| SCHEMBL29602598 | 0.82 | TSHR (0.55) | GMNNALDH1A1LMNATP53TSHR | |
| SCHEMBL7098496 | 0.82 | TSHR (0.55) | GMNNALDH1A1LMNATP53TSHR | |
| SCHEMBL3563113 | 0.80 | FFAR3 (0.43) | CA1GMNNALDH1A1LMNATP53 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2166838-B1 | TOPICAL DENTAL SOLUTION OF CHLORHEXIDINE IN SUMATRA BENZOIN BP/EP AND METHODS OF MANUFACTURING AND EVALUATING SAME | CHX TECH INC (CA) | 2018-10-24 | — | — | EP | disclosed |
| EP-2166838-A2 | TOPICAL DENTAL SOLUTION OF CHLORHEXIDINE IN SUMATRA BENZOIN BP/EP AND METHODS OF MANUFACTURING AND EVALUATING SAME | CHX Technologies Inc. (CA) | 2010-03-31 | — | — | EP | disclosed |
| WO-2008156559-A2 | TOPICAL DENTAL SOLUTION OF CHLORHEXIDINE IN SUMATRA BENZOIN BP/EP AND METHODS OF MANUFACTURING AND EVALUATING SAME | CHX TECHNOLOGIES, INC. (CA) | 2008-12-24 | — | — | WO | disclosed |