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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.30 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL29494156 | 0.71 | CA1 (0.34) | CA1CA2CA7CA9 | |
| SCHEMBL99127 | 0.71 | CA1 (0.34) | CA1CA2CA7CA9 | |
| SCHEMBL8988331 | 0.69 | CA1 (0.36) | CA1CA2CA7CA9 | |
| SCHEMBL706143 | 0.69 | CA1 (0.36) | CA1CA2CA7CA9 | |
| SCHEMBL7983115 | 0.69 | CA1 (0.33) | CA1CA2CA7CA9 | |
| SCHEMBL48160 | 0.69 | — | — | |
| SCHEMBL11095075 | 0.69 | CA4 (0.34) | — | |
| SCHEMBL29386690 | 0.69 | — | — | |
| SCHEMBL547821 | 0.69 | CA1 (0.38) | CA1CA2CA7CA9 | |
| SCHEMBL1292825 | 0.68 | GABRA1 (0.41) | CA1CA2CA7CA9 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6274668-B1 | USING REDOX COMPOUNDS; REDUCING VOLATILITY ORGANIC COMPOUNDS | ELF ATOCHEM ITALIA S.R.L. (IT) | 2001-08-14 | — | — | US | disclosed |
| US-6093675-A | REDOX COUPLE FORMING AQUEOUS EMULSIONS HAVING LOW CONTENT OF VOLATILE ORGANIC COMPOUNDS AND OF RESIDUAL MONOMERS | ELF ATOCHEM ITALIA S.R.L. (IT) | 2000-07-25 | — | — | US | disclosed |
| EP-0767180-B1 | Low VOC emulsion | ATOCHEM ELF ITALIA (IT) | 1999-06-02 | — | — | EP | disclosed |
| US-5721310-A | COUPLING THE UNREACTED MONOMERS WITH A REDUCING AGENT AND AN OXIDIZING AGENT | ELF ATOCHEM ITALIA S.R.L. (IT) | 1998-02-24 | — | — | US | disclosed |
| EP-0767180-A1 | Low VOC emulsion | ELF ATOCHEM ITALIA S.r.l. (IT) | 1997-04-09 | — | — | EP | disclosed |