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 | 3/20 | 0.44 |
| ▸ | CA1 known ✓ | P00915 | 3/20 | 0.44 |
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.44 |
| ▸ | CA4 known ✓ | P22748 | 3/20 | 0.44 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.44 |
| ▸ | CA6 | P23280 | 2/20 | 0.44 |
| ▸ | CA5A | P35218 | 2/20 | 0.44 |
| ▸ | CA7 | P43166 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.44 |
| ▸ | SLC10A1 | Q14973 | 1/20 | 0.44 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.44 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.44 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11100162 | 1.00 | ALDH1A1 (0.44) | ALDH1A1CA12CA1CA2CA4 | |
| SCHEMBL11096591 | 0.99 | ALDH1A1 (0.45) | ALDH1A1CA12CA1CA2CA4 | |
| Potassium Ion SCHEMBL11101257 | 0.98 | ALDH1A1 (0.44) | ALDH1A1CA12CA1CA2CA4 | |
| Potassium Ion SCHEMBL11100066 | 0.98 | ALDH1A1 (0.44) | ALDH1A1CA12CA1CA2CA4 | |
| Potassium Ion SCHEMBL11224520 | 0.93 | ALDH1A1 (0.46) | ALDH1A1CA12CA1CA2CA4 | |
| SCHEMBL11099566 | 0.87 | ALDH1A1 (0.43) | ALDH1A1CA12CA1CA2CA4 | |
| SCHEMBL11097992 | 0.87 | ALDH1A1 (0.43) | ALDH1A1CA12CA1CA2CA4 | |
| SCHEMBL11101859 | 0.84 | ALDH1A1 (0.43) | ALDH1A1CA12CA1CA2CA4 | |
| SCHEMBL11096601 | 0.84 | ALDH1A1 (0.43) | ALDH1A1CA12CA1CA2CA4 | |
| SCHEMBL11104567 | 0.84 | CA12 (0.50) | CA12CA1CA2CA4CA6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0034746-B1 | 5-SULFAMOYL-ORTHANILIC ACIDS, PROCESSES FOR THEIR PREPARATION, THERAPEUTIC COMPOSITIONS CONTAINING THEM AND THE COMPOUNDS FOR USE IN THERAPY | HOECHST AKTIENGESELLSCHAFT (DE) | 1984-01-18 | — | — | EP | disclosed |
| US-4339446-A | 5-Sulfamoyl-orthanilic acids, processes for their preparation and their use as medicaments | HOECHST AKTIENGESELLSCHAFT (DE) | 1982-07-13 | — | — | US | disclosed |