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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 18/20 | 0.55 |
| ▸ | CA1 known ✓ | P00915 | 17/20 | 0.55 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.43 |
| ▸ | THRA known ✓ | P10827 | 1/20 | 0.36 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Potassium Ion SCHEMBL4643453 | 0.96 | CA2 (0.52) | CA2CA1CA4THRATHRB | |
| SCHEMBL1598468 | 0.80 | ALDH1A1 (0.52) | THRBEPHX2 | |
| SCHEMBL4642781 | 0.78 | SRD5A2 (0.50) | THRBEPHX2 | |
| SCHEMBL4643451 | 0.78 | SRD5A2 (0.50) | THRBEPHX2 | |
| Terephthalic Acid SCHEMBL104073 | 0.73 | CA2 (0.78) | CA2CA1CA4 | |
| Terephthalic Acid SCHEMBL31095056 | 0.73 | CA2 (0.78) | CA2CA1CA4 | |
| SCHEMBL10570088 | 0.73 | CA2 (0.65) | CA2CA1CA4 | |
| SCHEMBL6909054 | 0.71 | ALDH1A1 (0.61) | CA2CA1 | |
| SCHEMBL8971473 | 0.71 | CA2 (0.63) | CA2CA1CA4 | |
| Aminomethylbenzoic Acid SCHEMBL1567839 | 0.71 | CA2 (0.63) | CA2CA1CA4 |
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-1120391-B1 | MOLECULAR COMPOUNDS CONTAINING NOVEL CARBOXYLIC ACID DERIVATIVES AS THE CONSTITUENT COMPOUND | NIPPON SODA CO (JP) | 2008-08-06 | — | — | EP | disclosed |
| US-6566548-B1 | Alkylene- or phenylene- tetrabenzoic acids and derivatives | NIPPON SODA CO., LTD. (JP) | 2003-05-20 | — | — | US | disclosed |
| EP-1120391-A1 | MOLECULAR COMPOUNDS CONTAINING NOVEL CARBOXYLIC ACID DERIVATIVES AS THE CONSTITUENT COMPOUND | NIPPON SODA CO., LTD. (JP) | 2001-08-01 | — | — | EP | disclosed |