Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Butyric 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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 2/20 | 0.39 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.37 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.59 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.59 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.59 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.59 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | NAALAD2 | Q9Y3Q0 | 1/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.39 |
| ▸ | PPARG | P37231 | 7/20 | 0.39 |
| ▸ | PPARD | Q03181 | 7/20 | 0.39 |
| ▸ | PPARA | Q07869 | 7/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.39 |
| ▸ | TSHR | P16473 | 4/20 | 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 | |
|---|---|---|---|---|
| Butyric Acid SCHEMBL4631705 | 0.95 | FFAR3 (0.65) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| Acetic Acid SCHEMBL4630329 | 0.91 | NAALAD2 (0.46) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| Propionic Acid SCHEMBL5523760 | 0.88 | FFAR3 (0.48) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL120318 | 0.85 | — | — | |
| Butyric Acid SCHEMBL5519685 | 0.84 | GPR84 (0.54) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| Butyric Acid SCHEMBL27726180 | 0.84 | GPR84 (0.54) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| Propionic Acid SCHEMBL5513945 | 0.83 | FFAR3 (0.53) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| Hydrochloric Acid SCHEMBL2180509 | 0.83 | NAALAD2 (0.48) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL8874270 | 0.83 | NAALAD2 (0.48) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| Ammonia Solution, Strong SCHEMBL8995890 | 0.83 | NAALAD2 (0.48) | FFAR3HDAC3HDAC1HDAC2HDAC8 |
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-20070053855-A1 | Personal care products incorporating cellulosic fatty acid esters | EASTMAN CHEMICAL COMPANY | 2007-03-08 | — | — | US | disclosed |