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 | |
|---|---|---|---|---|
| ▸ | P2RY2 known ✓ | P41231 | 2/20 | 0.43 |
| ▸ | P2RY4 known ✓ | P51582 | 2/20 | 0.43 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.36 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.35 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.35 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | DUSP5 | Q16690 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL35915 | 1.00 | KMT2A (0.44) | KMT2AP2RY2P2RY4KEAP1NFE2L2 | |
| SCHEMBL30774597 | 1.00 | KMT2A (0.44) | KMT2AP2RY2P2RY4KEAP1NFE2L2 | |
| Hydrochloric Acid SCHEMBL7556228 | 0.98 | KMT2A (0.42) | KMT2AP2RY2P2RY4KEAP1NFE2L2 | |
| Hydrochloric Acid SCHEMBL27617704 | 0.96 | KMT2A (0.41) | KMT2AP2RY2P2RY4KEAP1NFE2L2 | |
| Zinc Ion SCHEMBL1588842 | 0.96 | KMT2A (0.44) | KMT2AP2RY2P2RY4KEAP1NFE2L2 | |
| SCHEMBL1024108 | 0.96 | KMT2A (0.44) | KMT2AP2RY2P2RY4KEAP1NFE2L2 | |
| SCHEMBL10651982 | 0.96 | KMT2A (0.44) | KMT2AP2RY2P2RY4KEAP1NFE2L2 | |
| Potassium Ion SCHEMBL338797 | 0.96 | KMT2A (0.44) | KMT2AP2RY2P2RY4KEAP1NFE2L2 | |
| SCHEMBL4853327 | 0.96 | KMT2A (0.44) | KMT2AP2RY2P2RY4KEAP1NFE2L2 | |
| SCHEMBL10652003 | 0.96 | KMT2A (0.44) | KMT2AP2RY2P2RY4KEAP1NFE2L2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114096235-A | Antimicrobial compositions | 弗门尼舍有限公司 | 2022-02-25 | — | — | CN | disclosed |
| EP-1951039-A2 | AGRICULTURAL ADJUVANT COMPOSITIONS, PESTICIDE COMPOSITIONS, AND METHODS FOR USING SUCH COMPOSITIONS | RHODIA INC. (US) | 2008-08-06 | — | — | EP | disclosed |
| WO-2007059107-A2 | AGRICULTURAL ADJUVANT COMPOSITIONS, PESTICIDE COMPOSITIONS, AND METHODS FOR USING SUCH COMPOSITIONS | RHODIA INC. (US) | 2007-05-24 | — | — | WO | disclosed |
| WO-1995003998-A1 | WATER CONTROL SYSTEM USING OXIDATION REDUCTION POTENTIAL SENSING | H.E.R.C. PRODUCTS INCORPORATED (US) | 1995-02-09 | — | — | WO | disclosed |