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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | TDO2 | P48775 | 1/20 | 0.37 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.35 |
| ▸ | LIPG | Q9Y5X9 | 4/20 | 0.34 |
| ▸ | LPL | P06858 | 3/20 | 0.34 |
| ▸ | P4HB | P07237 | 1/20 | 0.34 |
| ▸ | F2 | P00734 | 2/20 | 0.33 |
| ▸ | F11 | P03951 | 2/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.33 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.33 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
| ▸ | SNCA | P37840 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.32 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 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 SCHEMBL25322175 | 0.92 | IDO1 (0.35) | IDO1TDO2IRAK4LIPGLPL | |
| SCHEMBL17113535 | 0.92 | IRAK4 (0.39) | IDO1TDO2IRAK4LIPGLPL | |
| SCHEMBL28877860 | 0.82 | SNCA (0.36) | IDO1TDO2IRAK4LIPGLPL | |
| SCHEMBL21801802 | 0.81 | IRAK4 (0.42) | IDO1TDO2IRAK4LIPGLPL | |
| SCHEMBL28877941 | 0.81 | LPL (0.35) | IDO1TDO2IRAK4LIPGLPL | |
| SCHEMBL31752127 | 0.80 | IDO1 (0.39) | IDO1TDO2IRAK4LIPGLPL | |
| Acetic Acid SCHEMBL25322552 | 0.74 | IRAK4 (0.42) | IDO1TDO2IRAK4LIPGLPL | |
| SCHEMBL907049 | 0.74 | KDM4E (0.40) | IDO1TDO2IRAK4LIPGLPL | |
| SCHEMBL28877894 | 0.74 | FFAR1 (0.37) | IDO1TDO2IRAK4LIPGLPL | |
| SCHEMBL23633173 | 0.73 | LPL (0.36) | IDO1TDO2IRAK4LIPGLPL |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023146990-A1 | COMPOUNDS AND METHODS OF USE | TANGO THERAPEUTICS, INC. (US) | 2023-08-03 | — | — | WO | disclosed |