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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.83 |
| ▸ | TSHR | P16473 | 5/20 | 0.83 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.58 |
| ▸ | LCK | P06239 | 1/20 | 0.58 |
| ▸ | FYN | P06241 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 4/20 | 0.39 |
| ▸ | THPO | P40225 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.32 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.32 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.31 |
| ▸ | EGLN3 | Q9H6Z9 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL2495577 | 1.00 | ALDH1A1 (0.83) | ALDH1A1TSHRFFAR3LCKFYN | |
| Acetic Acid SCHEMBL31567845 | 1.00 | ALDH1A1 (0.83) | ALDH1A1TSHRFFAR3LCKFYN | |
| Acetic Acid SCHEMBL396817 | 1.00 | ALDH1A1 (0.83) | ALDH1A1TSHRFFAR3LCKFYN | |
| Acetic Acid SCHEMBL28388644 | 1.00 | ALDH1A1 (0.83) | ALDH1A1TSHRFFAR3LCKFYN | |
| Acetic Acid SCHEMBL28384206 | 0.96 | ALDH1A1 (0.77) | ALDH1A1TSHRFFAR3LCKFYN | |
| Acetic Acid SCHEMBL9478111 | 0.96 | ALDH1A1 (0.77) | ALDH1A1TSHRFFAR3LCKFYN | |
| Hydrogen Peroxide SCHEMBL15610564 | 0.96 | — | — | |
| Hydrogen Peroxide SCHEMBL28219767 | 0.96 | TSHR (0.91) | ALDH1A1TSHRFFAR3LCKFYN | |
| SCHEMBL523 | 0.91 | — | — | |
| SCHEMBL1331774 | 0.91 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1261339-A1 | USE OF N-SUBSTITUTED-1,5-DIDEOXY-1,5-IMINO-D-GLUCITOL COMPOUNDS FOR TREATING HEPATITIS VIRUS INFECTIONS | Pharmacia Corporation (US) | 2002-12-04 | — | — | EP | disclosed |
| EP-1173161-A2 | GLUCAMINE COMPOUNDS FOR TREATING HEPATITIS VIRUS INFECTIONS | G.D. SEARLE & CO. (US) | 2002-01-23 | — | — | EP | disclosed |
| WO-2001060366-A1 | USE OF N-SUBSTITUTED-1,5-DIDEOXY-1,5-IMINO-D-GLUCITOL COMPOUNDS FOR TREATING HEPATITIS VIRUS INFECTIONS | PHARMACIA CORPORATION (US) | 2001-08-23 | — | — | WO | disclosed |
| WO-2001008672-A2 | GLUCAMINE COMPOUNDS FOR TREATING HEPATITIS VIRUS INFECTIONS | G.D. SEARLE & CO. (US) | 2001-02-08 | — | — | WO | disclosed |
| EP-1061922-A1 | USE OF $i(N)-SUBSTITUTED-1,5-DIDEOXY-1,5-IMINO-D-GLUCITOL COMPOUNDS FOR TREATING HEPATITIS VIRUS INFECTIONS | G.D. SEARLE & CO. (US) | 2000-12-27 | — | — | EP | disclosed |
| WO-1999040916-A1 | USE OF N-SUBSTITUTED-1,5-DIDEOXY-1,5-IMINO-D-GLUCITOL COMPOUNDS FOR TREATING HEPATITIS VIRUS INFECTIONS | G.D. SEARLE & CO. (US) | 1999-08-19 | — | — | WO | disclosed |