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 | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.50 |
| ▸ | LCK | P06239 | 1/20 | 0.50 |
| ▸ | FYN | P06241 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | GGT1 | P19440 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | THPO | P40225 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 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 SCHEMBL28562188 | 0.96 | FFAR3 (0.54) | FFAR3LCKFYNTSHRALDH1A1 | |
| SCHEMBL5185652 | 0.84 | — | — | |
| Acetic Acid SCHEMBL3731603 | 0.81 | FFAR3 (0.64) | FFAR3LCKFYNTSHRALDH1A1 | |
| Acetic Acid SCHEMBL442452 | 0.79 | FFAR3 (0.50) | FFAR3LCKFYNTSHRALDH1A1 | |
| Acetic Acid SCHEMBL7437249 | 0.79 | FFAR3 (0.50) | FFAR3LCKFYNTSHRALDH1A1 | |
| Acetic Acid SCHEMBL29475783 | 0.77 | FFAR3 (0.58) | FFAR3LCKFYNTSHRALDH1A1 | |
| Tert-Butylamine SCHEMBL27717339 | 0.77 | FFAR3 (0.58) | FFAR3LCKFYNTSHRALDH1A1 | |
| Tert-Butylamine SCHEMBL289315 | 0.77 | — | — | |
| Acetic Acid SCHEMBL28212914 | 0.77 | — | — | |
| Ethylene SCHEMBL3185029 | 0.77 | ALDH1A1 (0.38) | TSHRALDH1A1CYP1A2CYP2D6MEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116887824-A | Compositions containing ranitidine with low iron content | 欧彼乐医疗集团公司 | 2023-10-13 | — | — | CN | claimed |
| CN-116887824-A | Compositions containing ranitidine with low iron content | 欧彼乐医疗集团公司 | 2023-10-13 | — | — | CN | disclosed |