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 | 1/20 | 0.42 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.42 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.42 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.42 |
| ▸ | PTGS1 known ✓ | P23219 | 3/20 | 0.41 |
| ▸ | PTGS2 known ✓ | P35354 | 3/20 | 0.41 |
| ▸ | ALOX5 known ✓ | P09917 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CXCR1 | P25024 | 4/20 | 0.41 |
| ▸ | CXCR2 | P25025 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.41 |
| ▸ | ALB | P02768 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | RARB | P10826 | 1/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6457789 | 0.79 | RECQL (0.58) | ALDH1A1CA12CA1CA2CA4 | |
| SCHEMBL6460105 | 0.76 | ALDH1A1 (0.47) | ALDH1A1CA12CA1CA2CA4 | |
| SCHEMBL25146539 | 0.75 | RECQL (0.53) | ALDH1A1CA12CA1CA2CA4 | |
| SCHEMBL25146606 | 0.75 | ALDH1A1 (0.46) | ALDH1A1CA12CA1CA2CA4 | |
| SCHEMBL9176049 | 0.75 | PTGS1 (0.50) | ALDH1A1CXCR1CXCR2PTGS1PTGS2 | |
| SCHEMBL2377550 | 0.75 | TAAR1 (0.45) | CA12CA1CA2CA4CA9 | |
| SCHEMBL4704220 | 0.75 | TAAR1 (0.45) | ALDH1A1CA12CA1CA2CA4 | |
| SCHEMBL6579256 | 0.75 | TAAR1 (0.45) | ALDH1A1CA12CA1CA2CA4 | |
| SCHEMBL687491 | 0.74 | CXCR1 (0.49) | ALDH1A1CA12CA1CA2CA4 | |
| SCHEMBL18249746 | 0.74 | ALDH1A1 (0.54) | ALDH1A1CA12CA1CA2CA4 |
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-1606248-A2 | SULFONIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | Dompé S.P.A. (IT) | 2005-12-21 | — | — | EP | disclosed |
| WO-2004080951-A2 | SULFONIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | DOMPE S.P.A. (IT) | 2004-09-23 | — | — | WO | disclosed |