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 | |
|---|---|---|---|---|
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.76 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.76 |
| ▸ | MAPT | P10636 | 1/20 | 0.76 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.76 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8948300 | 0.96 | KDM4E (0.68) | KDM4EALOX15MAPTSMN1; SMN2LMNA | |
| Bicine SCHEMBL783494 | 0.91 | KDM4E (0.91) | KDM4EALOX15MAPTSMN1; SMN2LMNA | |
| SCHEMBL31349875 | 0.89 | KDM4E (0.95) | KDM4EALOX15MAPTSMN1; SMN2LMNA | |
| SCHEMBL379765 | 0.86 | ALOX15 (1.00) | KDM4EALOX15MAPTSMN1; SMN2LMNA | |
| Bicine SCHEMBL3981661 | 0.86 | KDM4E (0.82) | KDM4EALOX15MAPTSMN1; SMN2LMNA | |
| SCHEMBL382697 | 0.86 | ALOX15 (0.91) | KDM4EALOX15MAPTSMN1; SMN2LMNA | |
| Bicine SCHEMBL5065709 | 0.86 | KDM4E (0.82) | KDM4EALOX15MAPTSMN1; SMN2LMNA | |
| Bicine SCHEMBL30342023 | 0.86 | KDM4E (0.82) | KDM4EALOX15MAPTSMN1; SMN2LMNA | |
| Water SCHEMBL9900448 | 0.84 | KDM4E (0.95) | KDM4EALOX15MAPTSMN1; SMN2LMNA | |
| Water SCHEMBL10767426 | 0.84 | KDM4E (0.95) | KDM4EALOX15MAPTSMN1; SMN2LMNA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5585391-A | Hydroxyl ions as unique therapeutic agents and compounds that modulate these ions, compositions employing these agents, therapeutic methods for using such agents and processes for preparing them | FHJ SCIENTIFIC, INC. (US) | 1996-12-17 | — | — | US | disclosed |
| US-5574050-A | Hydroxyl ions as unique therapeutic agents and processes for preparing them | FHJ SCIENTIFIC, INC. (US) | 1996-11-12 | — | — | US | disclosed |
| EP-0725636-A1 | HYDROXYL IONS AS UNIQUE THERAPEUTIC AGENTS AND COMPOUNDS THAT MODULATE THESE IONS, COMPOSITIONS EMPLOYING THESE AGENTS, THERAPEUTIC METHODS FOR USING SUCH AGENTS AND PROCESSES FOR PREPARING THEM | FHJ SCIENTIFIC, INC. (US) | 1996-08-14 | — | — | EP | disclosed |
| US-5514808-A | Hydroxyl ions as unique therapeutic agents and compounds that modulate these ions | FHJ SCIENTIFIC, INC (US) | 1996-05-07 | — | — | US | disclosed |
| WO-1995010272-A1 | HYDROXYL IONS AS UNIQUE THERAPEUTIC AGENTS AND COMPOUNDS THAT MODULATE THESE IONS, COMPOSITIONS EMPLOYING THESE AGENTS, THERAPEUTIC METHODS FOR USING SUCH AGENTS AND PROCESSES FOR PREPARING THEM | FHJ SCIENTIFIC, INC. (US) | 1995-04-20 | — | — | WO | disclosed |