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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA4 known ✓ | P22748 | 2/20 | 0.33 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.32 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
| ▸ | FAHD1 | Q6P587 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3512370 | 0.94 | TSHR (0.37) | TSHRALDH1A1TDP1CA5ACA5B | |
| SCHEMBL11776563 | 0.71 | TSHR (0.39) | TSHRALDH1A1TDP1CA5ACA5B | |
| SCHEMBL11147400 | 0.69 | TSHR (0.37) | TSHRALDH1A1TDP1CA5ACA5B | |
| SCHEMBL3512371 | 0.69 | TSHR (0.37) | TSHRALDH1A1TDP1CA5ACA5B | |
| Bicarbonate SCHEMBL11732387 | 0.65 | CA4 (0.54) | CA4CA5ACA5BFAHD1LMNA | |
| Bicarbonate SCHEMBL2382806 | 0.65 | CA5A (0.67) | ALDH1A1TDP1CA4CA5ACA5B | |
| Bicarbonate SCHEMBL11218040 | 0.65 | MEN1 (0.46) | CA4CA5ACA5BFAHD1LMNA | |
| Bicarbonate SCHEMBL11755316 | 0.65 | MEN1 (0.46) | CA4CA5ACA5BFAHD1LMNA | |
| SCHEMBL10716872 | 0.65 | — | — | |
| Bicarbonate SCHEMBL11218041 | 0.65 | MEN1 (0.46) | CA4CA5ACA5BFAHD1LMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4416809-A | SULFO FATTY ACID ESTER SALT, FATTY ACID SOAP, AND POLYCARBOXYLIC ACID SALT | LION CORPORATION (JP) | 1983-11-22 | — | — | US | disclosed |