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 | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.58 |
| ▸ | LCK | P06239 | 1/20 | 0.58 |
| ▸ | FYN | P06241 | 1/20 | 0.58 |
| ▸ | CA1 | P00915 | 4/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | BLM | P54132 | 2/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | THPO | P40225 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.30 |
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 SCHEMBL360904 | 0.96 | — | — | |
| Acetic Acid SCHEMBL177128 | 0.96 | FFAR3 (0.64) | FFAR3LCKFYNCA1CA2 | |
| Acetic Acid SCHEMBL28108156 | 0.92 | — | — | |
| Acetic Acid SCHEMBL128796 | 0.92 | FFAR3 (0.58) | FFAR3LCKFYNCA1CA2 | |
| Acetic Acid SCHEMBL28108158 | 0.92 | — | — | |
| Acetic Acid SCHEMBL27522628 | 0.92 | — | — | |
| Acetic Acid SCHEMBL28591801 | 0.92 | — | — | |
| Acetone SCHEMBL4362729 | 0.82 | — | — | |
| Acetic Acid SCHEMBL1023401 | 0.82 | — | — | |
| Acetic Acid SCHEMBL7920768 | 0.82 | FFAR3 (0.88) | FFAR3LCKFYNCA1CA2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112626061-B | Multienzyme ordered co-immobilization method for improving efficiency of cascade catalytic system | 上海交通大学 | 2021-09-14 | — | — | CN | disclosed |
| CN-112626061-A | Multienzyme ordered co-immobilization method for improving efficiency of cascade catalytic system | 上海交通大学 | 2021-04-09 | — | — | CN | disclosed |
| CN-110637034-A | CXCR2 antibodies and uses thereof | 莫纳什大学 | 2019-12-31 | — | — | CN | disclosed |