Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. 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 | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 2/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | MGAM | O43451 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | SI | P14410 | 1/20 | 0.32 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL28175205 | 0.92 | TSHR (0.35) | FFAR3TSHRTDP1ALDH1A1USP2 | |
| SCHEMBL48647 | 0.85 | — | — | |
| SCHEMBL20591070 | 0.77 | MME (0.42) | TSHRTDP1ALDH1A1TP53CA2 | |
| Acetic Acid SCHEMBL10353591 | 0.76 | FFAR3 (0.50) | FFAR3LCKFYNTSHRTDP1 | |
| Acetic Acid SCHEMBL1362080 | 0.76 | — | — | |
| Acetic Acid SCHEMBL8948425 | 0.74 | FFAR3 (0.35) | FFAR3LCKFYNALDH1A1USP2 | |
| SCHEMBL27566177 | 0.74 | TGFBR1 (0.47) | USP2TGFBR1 | |
| Butanol SCHEMBL1028571 | 0.73 | — | — | |
| Butanol SCHEMBL21435673 | 0.73 | TSHR (0.67) | FFAR3LCKFYNTSHRTDP1 | |
| 3-Pentanol SCHEMBL27460311 | 0.73 | FFAR3 (0.47) | FFAR3LCKFYNTSHRTDP1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5574050-A | Hydroxyl ions as unique therapeutic agents and processes for preparing them | FHJ SCIENTIFIC, INC. (US) | 1996-11-12 | — | — | US | claimed |
| US-5514808-A | Hydroxyl ions as unique therapeutic agents and compounds that modulate these ions | FHJ SCIENTIFIC, INC (US) | 1996-05-07 | — | — | US | claimed |
| 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 |