Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of (R)-3-Hydroxybutanoate. 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 | |
|---|---|---|---|---|
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.61 |
| ▸ | GPR84 | Q9NQS5 | 4/20 | 0.50 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.50 |
| ▸ | FFAR4 | Q5NUL3 | 3/20 | 0.50 |
| ▸ | SLC22A6 | Q4U2R8 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 4/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 4/20 | 0.38 |
| ▸ | PPARD | Q03181 | 4/20 | 0.38 |
| ▸ | PPARA | Q07869 | 4/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.38 |
| ▸ | TLR2 | O60603 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| 3-Hydroxybutyric Acid, (+/-)- SCHEMBL2034805 | 1.00 | CAMK2A (0.61) | CAMK2AGPR84FFAR1FFAR4SLC22A6 | |
| 3-Hydroxybutyric Acid, (+/-)- SCHEMBL2032681 | 0.96 | CAMK2A (0.56) | CAMK2AGPR84FFAR1FFAR4SLC22A6 | |
| 3-Hydroxybutyric Acid, (+/-)- SCHEMBL28671508 | 0.96 | GPR84 (0.58) | CAMK2AGPR84FFAR1FFAR4SLC22A6 | |
| 3-Hydroxybutyric Acid, (+/-)- SCHEMBL8443628 | 0.94 | GPR84 (0.60) | CAMK2AGPR84FFAR1FFAR4SLC22A6 | |
| 3-Hydroxybutyric Acid, (+/-)- SCHEMBL3507151 | 0.91 | CAMK2A (0.50) | CAMK2AGPR84FFAR1FFAR4SLC22A6 | |
| 3-Hydroxybutyric Acid, (+/-)- SCHEMBL367756 | 0.89 | CAMK2A (0.48) | CAMK2AGPR84FFAR1FFAR4SLC22A6 | |
| 3-Hydroxybutyric Acid, (+/-)- SCHEMBL23673819 | 0.89 | GPR84 (0.44) | CAMK2AGPR84FFAR1FFAR4SLC22A6 | |
| Adipic Acid SCHEMBL29124686 | 0.89 | LMNA (0.55) | GPR84FFAR1FFAR4SLC22A6LMNA | |
| 3-Hydroxybutyric Acid, (+/-)- SCHEMBL14940374 | 0.88 | CAMK2A (0.47) | CAMK2AGPR84FFAR1FFAR4SLC22A6 | |
| 3-Hydroxybutyric Acid, (+/-)- SCHEMBL2032943 | 0.86 | SLC22A6 (0.42) | CAMK2AGPR84FFAR1FFAR4SLC22A6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1036190-B1 | A METHOD FOR PRODUCING HYDROXYCARBOXYLIC ACIDS BY AUTO-DEGRADATION OF POLYHYDROXYALKANOATES | CHIROBIO INC (KR) | 2005-05-11 | — | — | EP | disclosed |
| US-6472188-B1 | SYNTHESIZING AND ACCUMULATING POLYHYDROXYALKANOATES (PHA) IN A CELL OF A MICROORGANISM BY CULTURING THE MICROORGANISM HAVING POLYHYDROXYALKANOATE DEPOLYMERASE ACTIVITY, COLLECTING CULTURED POLYMER, SUBJECTING TO MICROBIAL ENZYME DEGRADATION | CHIROBIO INC. (KR) | 2002-10-29 | — | — | US | disclosed |
| EP-1036190-A1 | A METHOD FOR PRODUCING HYDROXYCARBOXYLIC ACIDS BY AUTO-DEGRADATION OF POLYHYDROXYALKANOATES | ChiroBio Inc. (KR) | 2000-09-20 | — | — | EP | disclosed |
| WO-1999029889-A1 | A METHOD FOR PRODUCING HYDROXYCARBOXYLIC ACIDS BY AUTO-DEGRADATION OF POLYHYDROXYALKANOATES | LG CHEMICAL LTD. (KR) | 1999-06-17 | — | — | WO | disclosed |