Known targets — ChEMBL curated mechanism
CHRM1DRD2DRD3DRD4HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR2APDE3ASIGMAR1SLC9A3
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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 known ✓ | O15379 | 2/20 | 0.48 |
| ▸ | HDAC1 known ✓ | Q13547 | 2/20 | 0.48 |
| ▸ | HDAC2 known ✓ | Q92769 | 2/20 | 0.48 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.67 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.55 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.48 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | FABP3 | P05413 | 5/20 | 0.47 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| Stearic Acid SCHEMBL6654230 | 0.92 | FABP3 (0.58) | CA1NFKB1GPR84CES2CES1 | |
| Stearic Acid SCHEMBL28189381 | 0.92 | FABP3 (0.58) | CA1NFKB1GPR84CES2CES1 | |
| Stearic Acid SCHEMBL26606382 | 0.88 | FABP3 (0.58) | CA1NFKB1GPR84CES2CES1 | |
| Octanoic Acid SCHEMBL526187 | 0.88 | FABP3 (0.58) | CA1NFKB1GPR84CES2CES1 | |
| Octanoic Acid SCHEMBL526185 | 0.88 | FABP3 (0.58) | CA1NFKB1GPR84CES2CES1 | |
| Stearic Acid SCHEMBL6652003 | 0.88 | CA1 (0.61) | CA1NFKB1GPR84CES2CES1 | |
| L-Lactic Acid SCHEMBL2555976 | 0.86 | FFAR3 (0.67) | CA1NFKB1GPR84FFAR3HDAC3 | |
| Valeric Acid SCHEMBL122082 | 0.86 | CA1 (0.89) | CA1NFKB1FFAR3HDAC3HDAC1 | |
| Stearic Acid SCHEMBL30298121 | 0.86 | FABP3 (0.56) | CA1NFKB1GPR84CES2CES1 | |
| L-Lactic Acid SCHEMBL27740901 | 0.84 | CA1 (0.58) | CA1NFKB1GPR84CES2CES1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008061480-A1 | NOVEL MANGIFERIN CALCIUM SALTS, THE METHOD FOR ITS PREPARATION AND ITS USE | HAINAN DEZE DRUG RESEARCH CO., LTD (CN) | 2008-05-29 | — | — | WO | claimed |
| WO-2008061480-A1 | NOVEL MANGIFERIN CALCIUM SALTS, THE METHOD FOR ITS PREPARATION AND ITS USE | HAINAN DEZE DRUG RESEARCH CO., LTD (CN) | 2008-05-29 | — | — | WO | disclosed |