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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TET2 | Q6N021 | 3/20 | 0.39 |
| ▸ | KDM4A | O75164 | 2/20 | 0.39 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.39 |
| ▸ | KDM2A | Q9Y2K7 | 2/20 | 0.39 |
| ▸ | TET3 | O43151 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
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, (+/-)- SCHEMBL8412698 | 0.91 | GPR84 (0.50) | GPR84FFAR1SMN1; SMN2TET2KDM4A | |
| 3-Hydroxybutyric Acid, (+/-)- SCHEMBL8092581 | 0.87 | SMN1; SMN2 (0.54) | GPR84FFAR1SMN1; SMN2TET2KDM4A | |
| SCHEMBL241631 | 0.83 | GPR84 (0.58) | GPR84FFAR1SMN1; SMN2TET2KDM4A | |
| Acetic Acid SCHEMBL15324031 | 0.81 | GPR84 (0.60) | GPR84FFAR1SMN1; SMN2TET2KDM4A | |
| 3-Hydroxybutyric Acid, (+/-)- SCHEMBL27650789 | 0.80 | GPR84 (0.62) | GPR84FFAR1SMN1; SMN2TET2KDM4A | |
| Succinic Acid SCHEMBL15323695 | 0.79 | TET2 (0.41) | GPR84FFAR1SMN1; SMN2TET2KDM4A | |
| SCHEMBL27993036 | 0.78 | GPR84 (0.55) | GPR84FFAR1SMN1; SMN2TET2KDM4A | |
| SCHEMBL991839 | 0.77 | — | — | |
| SCHEMBL360594 | 0.77 | — | — | |
| 3-Hydroxybutyric Acid, (+/-)- SCHEMBL7654603 | 0.77 | SLC22A6 (0.50) | GPR84SMN1; SMN2ADRA1ATDP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2836833-A1 | PRENATAL SCREENING FOR DOWN SYNDROME AND TRISOMY 18 | Wayne State University (US) | 2015-02-18 | — | — | EP | disclosed |
| WO-2013155456-A1 | PRENATAL SCREENING FOR DOWN SYNDROME AND TRISOMY 18 | WAYNE STATE UNIVERSITY (US) | 2013-10-17 | — | — | WO | disclosed |