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 | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.73 |
| ▸ | CA4 | P22748 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | THPO | P40225 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
| ▸ | FAHD1 | Q6P587 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 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 SCHEMBL28283158 | 1.00 | CA1 (0.73) | CA1CA4LMNAFFAR3TSHR | |
| Acetic Acid SCHEMBL16654535 | 0.96 | CA1 (0.67) | CA1CA4LMNAFFAR3TSHR | |
| Acetic Acid SCHEMBL11778507 | 0.95 | CA1 (0.80) | CA1CA4LMNAFFAR3TSHR | |
| Acetic Acid SCHEMBL563051 | 0.95 | CA1 (0.80) | CA1CA4LMNAFFAR3TSHR | |
| Acetic Acid SCHEMBL2345927 | 0.95 | CA1 (0.80) | CA1CA4LMNAFFAR3TSHR | |
| Acetic Acid SCHEMBL41209 | 0.95 | CA1 (0.80) | CA1CA4LMNAFFAR3TSHR | |
| Acetic Acid SCHEMBL60673 | 0.95 | CA1 (0.80) | CA1CA4LMNAFFAR3TSHR | |
| Acetic Acid SCHEMBL5484349 | 0.95 | CA1 (0.80) | CA1CA4LMNAFFAR3TSHR | |
| Acetic Acid SCHEMBL2345031 | 0.95 | CA1 (0.80) | CA1CA4LMNAFFAR3TSHR | |
| Acetic Acid SCHEMBL6896939 | 0.95 | CA1 (0.80) | CA1CA4LMNAFFAR3TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015155784-A1 | PROCESS FOR THE PREPARATION OF 2,5-FURANDICARBOXYLIC ACID AND ITS ESTER DERIVATIVE | NATCO PHARMA LIMITED (IN) | 2015-10-15 | — | — | WO | disclosed |
| WO-2015056270-A1 | PROCESS FOR THE PREPARATION OF 2,5-FURANDICARBOXYLIC ACID | NATCO PHARMA LIMITED (IN) | 2015-04-23 | — | — | WO | disclosed |