Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.39 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.39 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.39 |
| ▸ | GPR84 | Q9NQS5 | 4/20 | 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, (+/-)- SCHEMBL29019982 | 1.00 | SLC22A6 (0.50) | SLC22A6SMN1; SMN2MAPTGABRR1LMNA | |
| (R)-3-Hydroxybutanoate SCHEMBL27669012 | 0.94 | SLC22A6 (0.50) | SLC22A6SMN1; SMN2MAPTGABRR1LMNA | |
| 3-Hydroxybutyric Acid, (+/-)- SCHEMBL11263025 | 0.94 | SLC22A6 (0.50) | SLC22A6SMN1; SMN2MAPTGABRR1LMNA | |
| (R)-3-Hydroxybutanoate SCHEMBL336331 | 0.94 | — | — | |
| (R)-3-Hydroxybutanoate SCHEMBL29903959 | 0.94 | — | — | |
| (R)-3-Hydroxybutanoate SCHEMBL60959 | 0.94 | — | — | |
| (R)-3-Hydroxybutanoate SCHEMBL1533862 | 0.94 | SLC22A6 (0.56) | SLC22A6SMN1; SMN2MAPTGABRR1LMNA | |
| 3-Hydroxybutyric Acid, (+/-)- SCHEMBL1881926 | 0.94 | SLC22A6 (0.56) | SLC22A6SMN1; SMN2MAPTGABRR1LMNA | |
| 3-Hydroxybutyric Acid, (+/-)- SCHEMBL1897117 | 0.94 | SLC22A6 (0.56) | SLC22A6SMN1; SMN2MAPTGABRR1LMNA | |
| 3-Hydroxybutyric Acid, (+/-)- SCHEMBL28197574 | 0.94 | SLC22A6 (0.56) | SLC22A6SMN1; SMN2MAPTGABRR1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-6488945-B2 | PEARL PIGMENT CONTAINING AT LEAST MICA OR MICA TITAN | MITSUBISHI PENCIL KABUSHIKI KAISHA (JP) | 2002-12-03 | — | — | US | disclosed |