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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | 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 SCHEMBL4868108 | 1.00 | ALDH1A1 (0.50) | ALDH1A1FFAR3LCKFYNSMN1; SMN2 | |
| Acetic Acid SCHEMBL575053 | 1.00 | ALDH1A1 (0.50) | ALDH1A1FFAR3LCKFYNSMN1; SMN2 | |
| Acetic Acid SCHEMBL2354574 | 1.00 | ALDH1A1 (0.50) | ALDH1A1FFAR3LCKFYNSMN1; SMN2 | |
| Acetic Acid SCHEMBL10557658 | 0.97 | ALDH1A1 (0.47) | ALDH1A1FFAR3LCKFYNSMN1; SMN2 | |
| Tetrahydrofuran SCHEMBL44945 | 0.97 | — | — | |
| Tetrahydrofuran SCHEMBL1704980 | 0.97 | ALDH1A1 (0.53) | ALDH1A1FFAR3LCKFYNSMN1; SMN2 | |
| Tetrahydrofuran SCHEMBL28650393 | 0.97 | ALDH1A1 (0.53) | ALDH1A1FFAR3LCKFYNSMN1; SMN2 | |
| Tetrahydrofuran SCHEMBL7175965 | 0.94 | ALDH1A1 (0.50) | ALDH1A1FFAR3LCKFYNSMN1; SMN2 | |
| Tetrahydrofuran SCHEMBL7457134 | 0.94 | ALDH1A1 (0.50) | ALDH1A1FFAR3LCKFYNSMN1; SMN2 | |
| Tetrahydrofuran SCHEMBL7613346 | 0.94 | ALDH1A1 (0.50) | ALDH1A1FFAR3LCKFYNSMN1; 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-115353630-B | Polytelluroxane high molecular material, preparation method thereof, closed-loop degradation method and application thereof | 清华大学 | 2023-07-25 | — | — | CN | disclosed |