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 | 0.64 |
| ▸ | LCK | P06239 | 1/20 | 0.64 |
| ▸ | FYN | P06241 | 1/20 | 0.64 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | BLM | P54132 | 2/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 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 SCHEMBL8509103 | 1.00 | FFAR3 (0.64) | FFAR3LCKFYNLMNATSHR | |
| Acetic Acid SCHEMBL29706371 | 0.85 | — | — | |
| Acetic Acid SCHEMBL1023401 | 0.85 | — | — | |
| Acetic Acid SCHEMBL360904 | 0.82 | — | — | |
| Acetic Acid SCHEMBL177128 | 0.82 | FFAR3 (0.64) | FFAR3LCKFYNLMNATSHR | |
| Acetic Acid SCHEMBL1331810 | 0.80 | — | — | |
| Acetic Acid SCHEMBL7472549 | 0.80 | — | — | |
| Acetic Acid SCHEMBL1674512 | 0.80 | FFAR3 (1.00) | FFAR3LCKFYNLMNATSHR | |
| Acetic Acid SCHEMBL41073 | 0.80 | FFAR3 (1.00) | FFAR3LCKFYNLMNATSHR | |
| Acetic Acid SCHEMBL6788 | 0.80 | FFAR3 (1.00) | FFAR3LCKFYNLMNATSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0929538-A1 | O?2 -ARYLATED OR O?2 -GLYCOSYLATED 1-SUBSTITUTED DIAZEN-1-IUM-1,2-DIOLATES AND O?2 -SUBSTITUTED 1- (2-CARBOXYLATO)PYRROLIDIN-1-YL]DIAZEN-1-IUM-1,2-DIOLATES | THE UNITED STATES GOVERNMENT as represented by THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1999-07-21 | — | — | EP | disclosed |
| WO-1998013358-A1 | O2-ARYLATED OR O2-GLYCOSYLATED 1-SUBSTITUTED DIAZEN-1-IUM-1,2-DIOLATES AND O2-SUBSTITUTED 1-[(2-CARBOXYLATO)PYRROLIDIN-1-YL]DIAZEN-1-IUM-1,2-DIOLATES | THE UNITED STATES OF AMERICA REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1998-04-02 | — | — | WO | disclosed |