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 | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.38 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.38 |
| ▸ | GABRA1 known ✓ | P14867 | 2/20 | 0.38 |
| ▸ | GABRG2 known ✓ | P18507 | 2/20 | 0.38 |
| ▸ | GABRB3 known ✓ | P28472 | 2/20 | 0.38 |
| ▸ | GABRB1 known ✓ | P18505 | 1/20 | 0.38 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.38 |
| ▸ | GABRA5 known ✓ | P31644 | 1/20 | 0.38 |
| ▸ | GABRA3 known ✓ | P34903 | 1/20 | 0.38 |
| ▸ | GABRA2 known ✓ | P47869 | 1/20 | 0.38 |
| ▸ | GABRB2 known ✓ | P47870 | 1/20 | 0.38 |
| ▸ | GABRA4 known ✓ | P48169 | 1/20 | 0.38 |
| ▸ | GABRA6 known ✓ | Q16445 | 1/20 | 0.38 |
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.37 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Hydrogen Peroxide SCHEMBL11311144 | 0.96 | GABRA1 (0.39) | CA1CA2GABRA1GABRG2GABRB3 | |
| Potassium Ion SCHEMBL7026962 | 0.96 | CA1 (0.38) | CA1CA2GABRA1GABRG2GABRB3 | |
| SCHEMBL9164110 | 0.83 | SLC9A1 (0.33) | CA1CA2LMNAHPGDL3MBTL1 | |
| SCHEMBL27656927 | 0.82 | CA1 (0.44) | CA1CA2CA9 | |
| SCHEMBL67965 | 0.82 | HSD11B1 (0.46) | CA1CA2GABRA1GABRG2GABRB3 | |
| SCHEMBL29615335 | 0.82 | HSD11B1 (0.46) | CA1CA2GABRA1GABRG2GABRB3 | |
| SCHEMBL9109689 | 0.82 | HSD11B1 (0.46) | CA1CA2GABRA1GABRG2GABRB3 | |
| SCHEMBL30130401 | 0.82 | HSD11B1 (0.46) | CA1CA2GABRA1GABRG2GABRB3 | |
| Hydrogen Peroxide SCHEMBL11316859 | 0.82 | CYP1A2 (0.39) | CA1CA2GABRA1GABRG2GABRB3 | |
| SCHEMBL7786711 | 0.82 | NR4A1 (0.34) | CA1CA2GABRA1GABRG2GABRB3 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0005098-B1 | COMPOSITIONS CONTAINING ALKALI METAL MONO- OR POLYALKYLARYLSULFONATE AND THE CORRESPONDING HYDROPEROXIDE; PROCESS FOR THEIR PREPARATION AND DETERGENT COMPOSITIONS CONTAINING THEM | Société Chimique des Charbonnages (FR) | 1982-02-03 | — | — | EP | claimed |
| CN-117624033-A | Ligand compound, iron/nickel complex, catalyst, preparation method and application thereof | 中国科学技术大学 | 2024-03-01 | — | — | CN | disclosed |
| EP-3864963-A1 | OILY SUSPENSION AGROCHEMICAL COMPOSITION | Kumiai Chemical Industry Co., Ltd. (JP) | 2021-08-18 | — | — | EP | disclosed |
| CN-1200737-C | Sterilising agents and method | ALLIED BIO CO LTD (GB) | 2005-05-11 | — | — | CN | disclosed |
| CN-1473192-A | Detergent composition | — | 2004-02-04 | — | — | CN | disclosed |
| CN-1426453-A | Package for unit dose detergent and method of use thereof | PROCTER & GAMBLE (US) | 2003-06-25 | — | — | CN | disclosed |
| CN-1391488-A | Sterilising agents and method | ALLIED BIO CORP LTD (GB) | 2003-01-15 | — | — | CN | disclosed |
| US-4294717-A | BLEACHES, HYDROPEROXIDATION | SOCIETE CHIMIQUE DES CHARBONNAGES SA (FR) | 1981-10-13 | — | — | US | disclosed |