Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Valeric 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 | 1/20 | 0.58 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.62 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.62 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.62 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.62 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.62 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.61 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.58 |
| ▸ | PPARG | P37231 | 7/20 | 0.58 |
| ▸ | PPARD | Q03181 | 7/20 | 0.58 |
| ▸ | PPARA | Q07869 | 7/20 | 0.58 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.58 |
| ▸ | TSHR | P16473 | 4/20 | 0.58 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.58 |
| ▸ | FABP4 | P15090 | 3/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | TLR2 | O60603 | 2/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.58 |
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 | |
|---|---|---|---|---|
| Hexanoate SCHEMBL27891484 | 0.96 | AKR1B1 (0.70) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| Valeric Acid SCHEMBL1237974 | 0.95 | FFAR3 (0.68) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| Valeric Acid SCHEMBL566579 | 0.95 | AKR1B1 (0.67) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| Valeric Acid SCHEMBL14854615 | 0.95 | FFAR3 (0.68) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| Octanoic Acid SCHEMBL10488143 | 0.94 | GPR84 (0.71) | AKR1B1GPR84PPARGPPARDPPARA | |
| Octanoic Acid SCHEMBL9686390 | 0.91 | GPR84 (0.74) | AKR1B1GPR84PPARGPPARDPPARA | |
| Valeric Acid SCHEMBL28060341 | 0.90 | AKR1B1 (0.74) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| Valeric Acid SCHEMBL50167 | 0.90 | AKR1B1 (0.74) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| Valeric Acid SCHEMBL386697 | 0.90 | AKR1B1 (0.74) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| Valeric Acid SCHEMBL2825806 | 0.90 | AKR1B1 (0.74) | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017187433-A1 | REGULATION OF FEED EFFICIENCY AND METHANE PRODUCTION IN RUMINATING ANIMALS | THE STATE OF ISRAEL, MINISTRY OF AGRICULTURE & RURAL DEVELOPMENT, AGRICULTURAL RESEARCH ORGANIZATION (ARO) (VOLCANI CENTER) (IL) | 2017-11-02 | — | — | WO | disclosed |
| CN-1537814-A | Microorganism metabolism type regulate and control method, in sulphate waste water treatment | 哈尔滨工业大学 | 2004-10-20 | — | — | CN | disclosed |
| CN-1522973-A | Alcohol type fermenting organism desulfurization method for treating sulfate organic wastewater | 哈尔滨工业大学 | 2004-08-25 | — | — | CN | disclosed |
| EP-0575482-A1 | ANTIVIRAL ACTIVITY AND RESOLUTION OF 2-HYDROXYMETHYL-5-(5-FLUOROCYTOSIN-1-YL)-1,3-OXATHIOLANE | EMORY UNIVERSITY (US) | 1993-12-29 | — | — | EP | disclosed |