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 | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 2/20 | 0.62 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.62 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.62 |
| ▸ | TSHR | P16473 | 4/20 | 0.62 |
| ▸ | CA7 | P43166 | 2/20 | 0.62 |
| ▸ | CA9 | Q16790 | 2/20 | 0.62 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.53 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.53 |
| ▸ | RECQL | P46063 | 3/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | RARB | P10826 | 3/20 | 0.50 |
| ▸ | LTA4H | P09960 | 2/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL8421760 | 1.00 | TSHR (0.62) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL3266551 | 1.00 | TSHR (0.62) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL10950170 | 1.00 | TSHR (0.62) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL7368026 | 0.95 | CA12 (0.68) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL38665923 | 0.91 | CA12 (0.52) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL6428986 | 0.89 | NR1I2 (0.53) | TSHRCA12CA1CA2CA7 | |
| Potassium Ion SCHEMBL10497589 | 0.88 | TSHR (0.53) | TSHRCA12CA1CA2CA7 | |
| Potassium Ion SCHEMBL10497546 | 0.88 | TSHR (0.53) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL7278941 | 0.86 | TSHR (0.50) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL13900197 | 0.86 | TSHR (0.66) | TSHRCA12CA1CA2CA7 |
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-0777648-B1 | A PROCESS FOR PREPARING PURIFIED ALKALI METAL SALTS OF 4-SULFOPHENYL-[(1-OXYALKANOYL)AMINO]ALKANOATE WITHOUT ISOLATION OF INTERMEDIATES | EASTMAN CHEM CO (US) | 1999-10-13 | — | — | EP | disclosed |
| EP-0777648-A1 | A PROCESS FOR PREPARING PURIFIED ALKALI METAL SALTS OF 4-SULFOPHENYL- (1-OXYALKANOYL)AMINO]ALKANOATE WITHOUT ISOLATION OF INTERMEDIATES | EASTMAN CHEMICAL COMPANY (US) | 1997-06-11 | — | — | EP | disclosed |
| WO-1996006075-A1 | A PROCESS FOR PREPARING PURIFIED ALKALI METAL SALTS OF 4-SULFOPHENYL-[(1-OXYALKANOYL)AMINO]ALKANOATE WITHOUT ISOLATION OF INTERMEDIATES | EASTMAN CHEMICAL COMPANY (US) | 1996-02-29 | — | — | WO | disclosed |