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 | |
|---|---|---|---|---|
| ▸ | FTO | Q9C0B1 | 10/20 | 0.60 |
| ▸ | MAPT | P10636 | 3/20 | 0.58 |
| ▸ | MEN1 | O00255 | 2/20 | 0.58 |
| ▸ | HTT | P42858 | 2/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.58 |
| ▸ | HPGD | P15428 | 2/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | RECQL | P46063 | 1/20 | 0.58 |
| ▸ | BLM | P54132 | 1/20 | 0.58 |
| ▸ | SMAD3 | P84022 | 1/20 | 0.58 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.58 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
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 SCHEMBL27527969 | 0.93 | FTO (0.57) | FTOMAPTMEN1HTTKMT2A | |
| SCHEMBL27924922 | 0.86 | FTO (0.57) | FTOMAPTMEN1HTTKMT2A | |
| SCHEMBL2568200 | 0.85 | FTO (0.58) | FTOMAPTMEN1HTTKMT2A | |
| SCHEMBL12275226 | 0.85 | FTO (0.72) | FTOMAPTMEN1HTTKMT2A | |
| SCHEMBL29358729 | 0.84 | FTO (0.69) | FTOMAPTMEN1HTTKMT2A | |
| SCHEMBL29838678 | 0.84 | FTO (0.69) | FTOMAPTMEN1HTTKMT2A | |
| SCHEMBL29996062 | 0.84 | FTO (0.69) | FTOMAPTMEN1HTTKMT2A | |
| SCHEMBL20095 | 0.84 | FTO (0.69) | FTOMAPTMEN1HTTKMT2A | |
| SCHEMBL23002085 | 0.83 | FTO (0.59) | FTOMAPTMEN1HTTKMT2A | |
| SCHEMBL23158785 | 0.83 | FTO (0.67) | FTOMAPTMEN1HTTKMT2A |
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-102281758-A | Mouse having human hepatocytes transplanted therein | — | 2011-12-14 | — | — | CN | disclosed |
| CN-100558701-C | N-(2-phenylethyl) sulfone amide derivative as integrin alpha 4 antagonists | ALMIRALL PRODESFARMA SA (ES) | 2009-11-11 | — | — | CN | disclosed |
| CN-1816523-A | N-(2-phenylethyl)sulfamide derivatives as integrin alpha4 antagonists | ALMIRALL PRODESFARMA SA (ES) | 2006-08-09 | — | — | CN | disclosed |
| CN-1575494-A | Product packaging including digital data | VERIFICATION TECHNOLOGIES INC (US) | 2005-02-02 | — | — | CN | disclosed |