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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 3/20 | 0.42 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.34 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.30 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.41 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.34 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | BLM | P54132 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6544283 | 1.00 | CA1 (0.42) | CA1FOLH1BBOX1CA2GPR84 | |
| SCHEMBL4995730 | 1.00 | CA1 (0.42) | CA1FOLH1BBOX1CA2GPR84 | |
| SCHEMBL11175514 | 1.00 | CA1 (0.42) | CA1FOLH1BBOX1CA2GPR84 | |
| SCHEMBL29913566 | 0.96 | CA1 (0.39) | CA1FOLH1BBOX1CA2GPR84 | |
| Potassium Ion SCHEMBL11242145 | 0.96 | CA1 (0.39) | CA1FOLH1BBOX1CA2GPR84 | |
| Potassium Ion SCHEMBL30177587 | 0.96 | CA1 (0.39) | CA1FOLH1BBOX1CA2GPR84 | |
| Potassium Ion SCHEMBL11242121 | 0.96 | CA1 (0.39) | CA1FOLH1BBOX1CA2GPR84 | |
| SCHEMBL11175500 | 0.90 | TET2 (0.35) | FOLH1NFKB1BLM | |
| SCHEMBL169001 | 0.88 | CA1 (0.45) | CA1FOLH1BBOX1CA2GPR84 | |
| SCHEMBL22194082 | 0.88 | CA1 (0.45) | CA1FOLH1BBOX1CA2GPR84 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3423559-A1 | NON-ENZYMATIC CLEANER FOR REPROCESSING SURGICAL INSTRUMENTS AND FLEXIBLE ENDOSCOPES | Ecolab USA, Inc. (US) | 2019-01-09 | — | — | EP | disclosed |
| EP-0030461-B1 | DETERGENT COMPOSITION | KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1983-05-04 | — | — | EP | disclosed |
| US-4349447-A | Phosphate-free detergent composition | KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1982-09-14 | — | — | US | disclosed |
| EP-0030461-A1 | Detergent composition | KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1981-06-17 | — | — | EP | disclosed |