Known targets — ChEMBL curated mechanism
AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA
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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.84 |
| ▸ | CES1 | P23141 | 3/20 | 0.60 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.60 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.60 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.60 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.60 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.60 |
| ▸ | CES2 | O00748 | 2/20 | 0.60 |
| ▸ | FABP3 | P05413 | 7/20 | 0.59 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.54 |
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 SCHEMBL107113 | 0.97 | — | — | |
| Valeric Acid SCHEMBL150677 | 0.97 | CA1 (0.89) | CA1CES1FFAR3HDAC3HDAC1 | |
| Valeric Acid SCHEMBL30143348 | 0.94 | CA1 (0.94) | CA1CES1FFAR3HDAC3HDAC1 | |
| Valeric Acid SCHEMBL9898725 | 0.94 | CA1 (0.84) | CA1CES1FFAR3HDAC3HDAC1 | |
| Valeric Acid SCHEMBL11815174 | 0.94 | CA1 (0.94) | CA1CES1FFAR3HDAC3HDAC1 | |
| Valeric Acid SCHEMBL11430572 | 0.92 | CA1 (0.89) | CA1CES1FFAR3HDAC3HDAC1 | |
| Valeric Acid SCHEMBL3174333 | 0.92 | CA1 (0.89) | CA1CES1FFAR3HDAC3HDAC1 | |
| Valeric Acid SCHEMBL11814020 | 0.92 | CA1 (0.89) | CA1CES1FFAR3HDAC3HDAC1 | |
| Valeric Acid SCHEMBL11422174 | 0.92 | CA1 (0.89) | CA1CES1FFAR3HDAC3HDAC1 | |
| Valeric Acid SCHEMBL578846 | 0.92 | CA1 (0.89) | CA1CES1FFAR3HDAC3HDAC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112426865-B | System for capturing and releasing acid gases | 碳捕获有限公司 | 2022-10-14 | — | — | CN | disclosed |
| CN-112426865-A | System for capturing and releasing acid gases | 碳捕获有限公司 | 2021-03-02 | — | — | CN | disclosed |
| CN-105939774-B | System for capturing and releasing acid gases | 碳捕获有限公司 | 2020-12-04 | — | — | CN | disclosed |