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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | GLS2 | Q9UI32 | 3/20 | 0.42 |
| ▸ | PLA2G2C | Q5R387 | 1/20 | 0.41 |
| ▸ | PRKCA | P17252 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30722293 | 0.91 | TSHR (0.52) | TSHRUSP2CYP3A4MAPTSMN1; SMN2 | |
| SCHEMBL11041362 | 0.88 | USP2 (0.49) | TSHRUSP2CYP3A4MAPTSMN1; SMN2 | |
| Acetic Acid SCHEMBL27860760 | 0.88 | PRKCA (0.47) | MAPTGLS2PRKCA | |
| SCHEMBL16265047 | 0.86 | TSHR (0.44) | TSHRUSP2CYP3A4MAPTSMN1; SMN2 | |
| SCHEMBL28434723 | 0.86 | USP2 (0.42) | TSHRUSP2CYP3A4MAPTSMN1; SMN2 | |
| SCHEMBL4479940 | 0.85 | PLA2G2C (0.48) | TSHRUSP2CYP3A4MAPTSMN1; SMN2 | |
| SCHEMBL11124230 | 0.85 | USP2 (0.49) | TSHRUSP2CYP3A4MAPTSMN1; SMN2 | |
| SCHEMBL833125 | 0.85 | PLA2G2C (0.48) | TSHRUSP2CYP3A4MAPTSMN1; SMN2 | |
| SCHEMBL11121672 | 0.85 | USP2 (0.49) | TSHRUSP2CYP3A4MAPTSMN1; SMN2 | |
| SCHEMBL4016772 | 0.85 | USP2 (0.54) | TSHRUSP2CYP3A4MAPTSMN1; SMN2 |
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-110494539-A | Bicyclic [2.2.1] hept-2-ene\" base-acetic acid esters of 5- is as aromatic and/or flavoring agent | SYMRISE AG | 2019-11-22 | — | — | CN | disclosed |