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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 2/20 | 0.47 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL8585232 | 0.85 | AOC3 (0.51) | AOC3RIPK1KDM4EMEN1KMT2A | |
| SCHEMBL8948285 | 0.72 | KDM4E (0.48) | AOC3KDM4EMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL5069152 | 0.72 | AOC3 (0.51) | AOC3RIPK1KDM4EMEN1KMT2A | |
| SCHEMBL5069157 | 0.72 | AOC3 (0.51) | AOC3RIPK1KDM4EMEN1KMT2A | |
| SCHEMBL1527256 | 0.72 | AOC3 (0.51) | AOC3RIPK1KDM4EMEN1KMT2A | |
| SCHEMBL8583624 | 0.72 | CA1 (0.35) | — | |
| SCHEMBL8586684 | 0.71 | LMNA (0.31) | LMNAALDH1A1 | |
| SCHEMBL4595769 | 0.70 | AOC3 (0.49) | AOC3RIPK1KDM4EMEN1KMT2A | |
| SCHEMBL16901650 | 0.69 | AOC3 (0.61) | AOC3KDM4EMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL14393835 | 0.69 | AOC3 (0.61) | AOC3KDM4EMEN1KMT2ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0839032-A4 | HYDROXYL IONS AS UNIQUE THERAPEUTIC AGENTS AND COMPOUNDS THAT MODULATE IONS, COMPOUNDS | FHJ SCIENT INC (US) | 1998-07-08 | — | — | EP | disclosed |
| EP-0839032-A1 | HYDROXYL IONS AS UNIQUE THERAPEUTIC AGENTS AND COMPOUNDS THAT MODULATE IONS, COMPOUNDS | FHJ SCIENTIFIC, INC. (US) | 1998-05-06 | — | — | EP | disclosed |
| US-5679711-A | Hydroxyl ions as novel therapeutic agents and compounds that modulate these ions, compositions employing these agents, therapeutic methods for using such agents | FHJ SCIENTIFIC, INC. (US) | 1997-10-21 | — | — | US | disclosed |
| WO-1996040104-A1 | HYDROXYL IONS AS UNIQUE THERAPEUTIC AGENTS AND COMPOUNDS THAT MODULATE IONS, COMPOUNDS | FHJ SCIENTIFIC, INC. (US) | 1996-12-19 | — | — | WO | disclosed |