Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of 3-Hydroxybutyric 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 | |
|---|---|---|---|---|
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 4/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.39 |
| ▸ | FFAR4 | Q5NUL3 | 3/20 | 0.39 |
| ▸ | TET2 | Q6N021 | 3/20 | 0.38 |
| ▸ | KDM4A | O75164 | 2/20 | 0.38 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.38 |
| ▸ | KDM2A | Q9Y2K7 | 2/20 | 0.38 |
| ▸ | TET3 | O43151 | 1/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | PPARG | P37231 | 4/20 | 0.34 |
| ▸ | PPARD | Q03181 | 4/20 | 0.34 |
| ▸ | PPARA | Q07869 | 4/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.34 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Oxybate SCHEMBL17557523 | 0.89 | CAMK2A (0.58) | CAMK2AGPR84FFAR1FFAR4TET2 | |
| (R)-3-Hydroxybutanoate SCHEMBL6231727 | 0.88 | CAMK2A (0.61) | CAMK2AGPR84FFAR1FFAR4AKR1B1 | |
| 3-Hydroxybutyric Acid, (+/-)- SCHEMBL2034805 | 0.88 | CAMK2A (0.61) | CAMK2AGPR84FFAR1FFAR4AKR1B1 | |
| 3-Hydroxybutyric Acid, (+/-)- SCHEMBL8092581 | 0.86 | SMN1; SMN2 (0.54) | SMN1; SMN2GPR84FFAR1TET2KDM4A | |
| 3-Hydroxybutyric Acid, (+/-)- SCHEMBL367756 | 0.85 | CAMK2A (0.48) | CAMK2AGPR84FFAR1FFAR4AKR1B1 | |
| Oxybate SCHEMBL4314043 | 0.85 | CAMK2A (0.48) | CAMK2AGPR84FFAR1FFAR4TET2 | |
| 3-Hydroxybutyric Acid, (+/-)- SCHEMBL28671508 | 0.84 | GPR84 (0.58) | CAMK2AGPR84FFAR1FFAR4AKR1B1 | |
| SCHEMBL27705071 | 0.84 | GPR84 (0.58) | CAMK2AGPR84FFAR1FFAR4TET2 | |
| 3-Hydroxybutyric Acid, (+/-)- SCHEMBL2032681 | 0.84 | CAMK2A (0.56) | CAMK2AGPR84FFAR1FFAR4AKR1B1 | |
| 3-Hydroxybutyric Acid, (+/-)- SCHEMBL3507151 | 0.83 | CAMK2A (0.50) | CAMK2ASMN1; SMN2GPR84FFAR1FFAR4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013068901-A1 | ISOLATION OF NOVEL THERMOPHILIC BACTERIA AND THERMOSTABLE ENZYMES RESPONSIBLE FOR THE BIOREDUCTION OF PLATINUM (IV) TO ELEMENTAL PLATINUM | UNIVERSITY OF THE FREE STATE (ZA) | 2013-05-16 | — | — | WO | disclosed |