Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
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 | |
|---|---|---|---|---|
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.46 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 3/20 | 0.53 |
| ▸ | CES1 | P23141 | 3/20 | 0.53 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.48 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.47 |
| ▸ | PPARG | P37231 | 7/20 | 0.47 |
| ▸ | PPARD | Q03181 | 7/20 | 0.47 |
| ▸ | PPARA | Q07869 | 7/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 6/20 | 0.47 |
| ▸ | TSHR | P16473 | 4/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | TLR2 | O60603 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | FABP4 | P15090 | 2/20 | 0.47 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.47 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Valeric Acid SCHEMBL15455275 | 0.98 | CES2 (0.55) | CES2CES1AKR1B1GPR84PPARG | |
| Valeric Acid SCHEMBL11825314 | 0.96 | CES2 (0.53) | CES2CES1AKR1B1GPR84PPARG | |
| Hexanoate SCHEMBL10610885 | 0.95 | AKR1B1 (0.57) | CES2CES1AKR1B1GPR84PPARG | |
| Octanoic Acid SCHEMBL8458993 | 0.93 | GPR84 (0.59) | CES2CES1AKR1B1GPR84PPARG | |
| Hexanoate SCHEMBL29178029 | 0.93 | AKR1B1 (0.59) | CES2CES1AKR1B1GPR84PPARG | |
| Octanoic Acid SCHEMBL27495786 | 0.91 | GPR84 (0.61) | CES2CES1AKR1B1GPR84PPARG | |
| Stearic Acid SCHEMBL27541455 | 0.91 | GPR84 (0.61) | CES2CES1AKR1B1GPR84PPARG | |
| Nonanoate SCHEMBL21603090 | 0.91 | GPR84 (0.61) | CES2CES1AKR1B1GPR84PPARG | |
| Octanoic Acid SCHEMBL2124215 | 0.89 | GPR84 (0.59) | CES2CES1AKR1B1GPR84PPARG | |
| Octanoic Acid SCHEMBL11386337 | 0.89 | GPR84 (0.59) | CES2CES1AKR1B1GPR84PPARG |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130338379-A1 | PROSTAGLANDIN SYNTHESIS AND INTERMEDIATES FOR USE THEREIN | ALPHORA RESEARCH INC. (CA) | 2013-12-19 | — | — | US | disclosed |
| US-8513441-B2 | Prostaglandin synthesis and intermediates for use therein | ALPHORA RESEARCH INC. (CA) | 2013-08-20 | — | — | US | disclosed |
| US-20110112312-A1 | PROSTAGLANDIN SYNTHESIS AND INTERMEDIATES FOR USE THEREIN | ALPHORA RESEARCH INC. (CA) | 2011-05-12 | — | — | US | disclosed |
| US-20100056808-A1 | PROSTAGLANDIN SYNTHESIS AND INTERMEDIATES FOR USE THEREIN | ALPHORA RESEARCH INC. (CA) | 2010-03-04 | — | — | US | disclosed |
| EP-0138464-B1 | 2-AMINO-5-HYDROXY-4-METHYLPYRIMIDINE DERIVATIVES | PFIZER INC. (US) | 1989-11-15 | — | — | EP | disclosed |
| US-4673677-A | 2-AMINO-5-HYDROXY-4-METHYLPYRIMIDINE | PFIZER INC. (US) | 1987-06-16 | — | — | US | disclosed |
| US-4554276-A | ENZYME INHIBITORS, ANTIULCER AGENTS | PFIZER INC. (US) | 1985-11-19 | — | — | US | disclosed |
| US-4551476-A | 13,14-Didehydro-prostaglandins and process for their preparation | FARMITALIA CARLO ERBA S.P.A. (IT) | 1985-11-05 | — | — | US | disclosed |
| EP-0138464-A2 | 2-Amino-5-hydroxy-4-methylpyrimidine derivatives | PFIZER INC. (US) | 1985-04-24 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110112312-A1 | PROSTAGLANDIN SYNTHESIS AND INTERMEDIATES FOR USE THEREIN | ALOX5, PTGES, PTGIS | ADRA1A 261/4885SLC6A3 4255/4885CES2 3639/4885 |
| US-20130338379-A1 | PROSTAGLANDIN SYNTHESIS AND INTERMEDIATES FOR USE THEREIN | ALOX5, PTGES, PTGIS | ADRA1A 261/4885SLC6A3 4252/4885CES2 3592/4885 |
| US-20100056808-A1 | PROSTAGLANDIN SYNTHESIS AND INTERMEDIATES FOR USE THEREIN | ALOX5, PTGES, ALOX15 | ADRA1A 395/4885SLC6A3 4231/4885CES2 3594/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.