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 | |
|---|---|---|---|---|
| ▸ | GSR | P00390 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CPB2 | Q96IY4 | 3/20 | 0.43 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.40 |
| ▸ | GABRR1 | P24046 | 3/20 | 0.39 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.39 |
| ▸ | ENPEP | Q07075 | 4/20 | 0.39 |
| ▸ | GABRR3 | A8MPY1 | 1/20 | 0.39 |
| ▸ | GABRP | O00591 | 1/20 | 0.39 |
| ▸ | GABRD | O14764 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL19582076 | 1.00 | GSR (0.46) | GSRALDH1A1CPB2RNPEPGABRR1 | |
| Acetic Acid SCHEMBL28621822 | 0.92 | ALDH1A1 (0.43) | GSRALDH1A1CPB2RNPEPGABRR1 | |
| Acetic Acid SCHEMBL28575571 | 0.92 | ALDH1A1 (0.43) | GSRALDH1A1CPB2RNPEPGABRR1 | |
| Acetic Acid SCHEMBL28575574 | 0.92 | ALDH1A1 (0.56) | GSRALDH1A1CPB2RNPEPHDAC1 | |
| Acetic Acid SCHEMBL28593370 | 0.90 | ALDH1A1 (0.55) | GSRALDH1A1CPB2RNPEPHDAC1 | |
| Acetic Acid SCHEMBL1833072 | 0.89 | GSR (0.42) | GSRALDH1A1CPB2RNPEPGABRR1 | |
| Acetic Acid SCHEMBL11106145 | 0.86 | ALDH1A1 (0.55) | ALDH1A1 | |
| Acetic Acid SCHEMBL8677031 | 0.83 | GSR (0.48) | GSRALDH1A1CPB2RNPEPGABRR1 | |
| SCHEMBL1537408 | 0.82 | NFKB1 (0.40) | GSRCPB2ENPEPLMNATSHR | |
| SCHEMBL29734802 | 0.82 | NFKB1 (0.40) | GSRCPB2ENPEPLMNATSHR |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117642190-A | Dimer-labeled precursor conjugated with a three-linker and radiotracer derived therefrom | 梅迪阿内泽有限公司 | 2024-03-01 | — | — | CN | claimed |
| CN-117320759-A | Radiopharmaceutical somatostatin receptor ligands and precursors thereof | 慕尼黑工业大学 | 2023-12-29 | — | — | CN | claimed |
| CN-114980931-A | Intelligent drug delivery system and kit for nuclear medicine cytotoxicity dual therapy diagnosis | SCV-特种化学品销售有限公司 | 2022-08-30 | — | — | CN | claimed |
| CN-113164630-A | Mark precursors with squaric acid linkage | SCV-特种化学品销售有限公司 | 2021-07-23 | — | — | CN | claimed |
| CN-107106711-B | Conjugated bisphosphonates for diagnosis and treatment of bone disease | SCV公司 | 2021-06-18 | — | — | CN | claimed |
| CN-117642190-A | Dimer-labeled precursor conjugated with a three-linker and radiotracer derived therefrom | 梅迪阿内泽有限公司 | 2024-03-01 | — | — | CN | disclosed |
| CN-117320759-A | Radiopharmaceutical somatostatin receptor ligands and precursors thereof | 慕尼黑工业大学 | 2023-12-29 | — | — | CN | disclosed |
| CN-114980931-A | Intelligent drug delivery system and kit for nuclear medicine cytotoxicity dual therapy diagnosis | SCV-特种化学品销售有限公司 | 2022-08-30 | — | — | CN | disclosed |
| CN-114796533-A | Mark precursors with squaric acid linkage | SCV-特种化学品销售有限公司 | 2022-07-29 | — | — | CN | disclosed |
| CN-113164630-A | Mark precursors with squaric acid linkage | SCV-特种化学品销售有限公司 | 2021-07-23 | — | — | CN | disclosed |
| CN-107106711-B | Conjugated bisphosphonates for diagnosis and treatment of bone disease | SCV公司 | 2021-06-18 | — | — | CN | disclosed |