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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA4 known ✓ | P22748 | 4/20 | 0.52 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.36 |
| ▸ | CA1 known ✓ | P00915 | 4/20 | 0.35 |
| ▸ | HMGCR known ✓ | P04035 | 1/20 | 0.32 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL6739454 | 0.94 | CA4 (0.46) | CA4FFAR3HDAC3HDAC1HDAC2 | |
| SCHEMBL665276 | 0.94 | CA4 (0.46) | CA4FFAR3HDAC3HDAC1HDAC2 | |
| Silver SCHEMBL6739447 | 0.94 | CA4 (0.46) | CA4FFAR3HDAC3HDAC1HDAC2 | |
| Water SCHEMBL14109454 | 0.92 | CA4 (0.44) | CA4FFAR3HDAC3HDAC1HDAC2 | |
| SCHEMBL4624370 | 0.77 | CA4 (0.50) | CA4FFAR3HDAC3HDAC1HDAC2 | |
| T-Butylacetic Acid SCHEMBL6500330 | 0.77 | — | — | |
| SCHEMBL9768490 | 0.76 | ALDH1A1 (0.38) | CA4CA1HMGCRCHRM1TBXA2R | |
| SCHEMBL8504120 | 0.76 | CA4 (0.56) | CA4FFAR3HDAC3HDAC1HDAC2 | |
| .Beta.-Hydroxyisovaleric Acid SCHEMBL1409113 | 0.74 | — | — | |
| SCHEMBL3957769 | 0.74 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101622199-B | Method for inhibiting scale formation and deposition in desalination systems | NALCO CO | 2013-05-01 | — | — | CN | disclosed |
| CN-101622199-A | Method for inhibiting scale formation and deposition in desalination systems | NALCO CO | 2010-01-06 | — | — | CN | disclosed |
| CN-1244503-C | Corrosion inhibitors for aqueous systems | ONDEO NALCO CO (US) | 2006-03-08 | — | — | CN | disclosed |
| CN-1512968-A | Corrosion inhibitor for aqueous systems | �̵°��ɶ��ƹ�˾ | 2004-07-14 | — | — | CN | disclosed |
| US-5618726-A | DYE HAVING LIGNIN-LIKE SUBSTITUTION PATTERN AND A MICROBE CAPABLE OF PRODUCING EXTRACELLULAR PEROXIDASE | IDAHO RESEARCH FOUNDATION, INC. (US) | 1997-04-08 | — | — | US | disclosed |
| US-5486214-A | MONO OR DISAZO DYES, LIGNIN PEROXIDASE AND VERATRYL ALCOHOL MIXTURE FOR DEGRADATION OF DYES | IDAHO RESEARCH FOUNDATION, INC. (US) | 1996-01-23 | — | — | US | disclosed |
| WO-1992017550-A1 | BIODEGRADABLE AZO DYES | IDAHO RESEARCH FOUNDATION, INC. (US) | 1992-10-15 | — | — | WO | disclosed |