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 | |
|---|---|---|---|---|
| ▸ | JAK1 | P23458 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | DPP4 | P27487 | 1/20 | 0.44 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | FEN1 | P39748 | 1/20 | 0.42 |
| ▸ | FABP3 | P05413 | 1/20 | 0.41 |
| ▸ | FABP4 | P15090 | 1/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL147437 | 0.94 | ALDH1A1 (0.52) | JAK1ALDH1A1DPP4PBRM1KDM4E | |
| Hydrochloric Acid SCHEMBL8993445 | 0.92 | ALDH1A1 (0.50) | JAK1ALDH1A1DPP4PBRM1KDM4E | |
| SCHEMBL1188823 | 0.84 | ALDH1A1 (0.50) | JAK1ALDH1A1TSHRLMNACYP1A2 | |
| SCHEMBL3059157 | 0.81 | JAK1 (0.42) | JAK1ALDH1A1DPP4PBRM1TSHR | |
| Acetic Acid SCHEMBL7836902 | 0.79 | TSHR (0.68) | ALDH1A1KDM4EHSD17B10TSHRLMNA | |
| SCHEMBL7768137 | 0.79 | ALDH1A1 (0.52) | JAK1ALDH1A1HSD17B10TSHRCYP1A2 | |
| SCHEMBL80183 | 0.79 | ALDH1A1 (0.64) | ALDH1A1DPP4PBRM1KDM4EHSD17B10 | |
| SCHEMBL1000014 | 0.79 | MMP2 (0.54) | JAK1ALDH1A1KDM4EHSD17B10TSHR | |
| SCHEMBL27406318 | 0.78 | JAK1 (0.53) | JAK1ALDH1A1PBRM1KDM4ELMNA | |
| Acetic Acid SCHEMBL29094370 | 0.78 | MMP2 (0.57) | ALDH1A1KDM4EHSD17B10MMP2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108732299-B | Colorimetric detection method for nitrite in water | 遵义医科大学 | 2020-10-16 | — | — | CN | disclosed |