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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.32 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5082692 | 0.85 | TSHR (0.33) | TSHR | |
| SCHEMBL2441480 | 0.81 | CA2 (0.38) | CA2CA1 | |
| SCHEMBL668755 | 0.74 | RECQL (0.46) | CA2TSHRCA1 | |
| SCHEMBL2206851 | 0.73 | RECQL (0.35) | CA2TSHRCA1 | |
| Silver SCHEMBL2027799 | 0.71 | RECQL (0.46) | CA2TSHRCA1 | |
| Potassium Ion SCHEMBL11852844 | 0.71 | RECQL (0.46) | CA2TSHRCA1 | |
| SCHEMBL10487343 | 0.70 | TSHR (0.30) | TSHR | |
| SCHEMBL219740 | 0.69 | NAAA (0.34) | CA2TSHRCA1 | |
| SCHEMBL8416643 | 0.68 | CA2 (0.34) | CA2CA1 | |
| SCHEMBL9777490 | 0.68 | CA1 (0.40) | CA2CA1 |
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-4252603-A | DISPERSION, AGGLOMERATION, FILTRATION, REUSE OF SURFACTANT | ICI AUSTRALIA LIMITED (AU) | 1981-02-24 | — | — | US | claimed |
| WO-2017034923-A1 | SURFACTANT COMPOSITIONS | CYTEC INDUSTRIES INC. (US) | 2017-03-02 | — | — | WO | disclosed |
| US-20170051195-A1 | Surfactant Compositions | CYTEC INDUSTRIES INC. (US) | 2017-02-23 | — | — | US | disclosed |
| WO-2013098573-A1 | SOIL AND PLANT CONDITIONER PRODUCTS | PLANTACO LOGISZTIKAI SZOLGÁLTATÓ KFT. (HU) | 2013-07-04 | — | — | WO | disclosed |
| US-6329452-B1 | ELECTROSTATIC PROPERTIES; TO FORM MOLDINGS, FILMS OR STRIPS | BAYER AKTIENGESELLSCHAFT (DE) | 2001-12-11 | — | — | US | disclosed |