Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Phenylbutanoic 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 | 0.84 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.84 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.84 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.84 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.84 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.84 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.84 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.84 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.84 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.84 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.84 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.84 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.84 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.84 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.84 |
| ▸ | MAPT | P10636 | 2/20 | 0.71 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.71 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.63 |
| ▸ | FFAR1 | O14842 | 5/20 | 0.61 |
| ▸ | LMNA | P02545 | 2/20 | 0.60 |
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 | |
|---|---|---|---|---|
| Phenylbutanoic Acid SCHEMBL21219015 | 0.92 | HDAC1 (1.00) | HDAC1HDAC3HDAC2HDAC8HDAC6 | |
| Phenylbutanoic Acid SCHEMBL1716 | 0.92 | HDAC1 (1.00) | HDAC1HDAC3HDAC2HDAC8HDAC6 | |
| Phenylbutanoic Acid SCHEMBL1021513 | 0.92 | HDAC1 (1.00) | HDAC1HDAC3HDAC2HDAC8HDAC6 | |
| Phenylbutanoic Acid SCHEMBL29272542 | 0.90 | HDAC1 (0.95) | HDAC1HDAC3HDAC2HDAC8HDAC6 | |
| Phenylbutanoic Acid SCHEMBL31228551 | 0.90 | HDAC1 (0.95) | HDAC1HDAC3HDAC2HDAC8HDAC6 | |
| Phenylbutanoic Acid SCHEMBL2010634 | 0.90 | HDAC1 (0.95) | HDAC1HDAC3HDAC2HDAC8HDAC6 | |
| Phenylbutanoic Acid SCHEMBL28684695 | 0.90 | HDAC1 (0.95) | HDAC1HDAC3HDAC2HDAC8HDAC6 | |
| Phenylbutanoic Acid SCHEMBL726614 | 0.90 | HDAC1 (0.95) | HDAC1HDAC3HDAC2HDAC8HDAC6 | |
| Phenylbutanoic Acid SCHEMBL29272534 | 0.90 | HDAC1 (0.95) | HDAC1HDAC3HDAC2HDAC8HDAC6 | |
| Phenylbutanoic Acid SCHEMBL7723613 | 0.90 | HDAC1 (0.95) | HDAC1HDAC3HDAC2HDAC8HDAC6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114225045-A | Treatment of tumors caused by metabolic dysfunction | 辛德弗雷克斯公司 | 2022-03-25 | — | — | CN | disclosed |
| CN-108697807-B | Treatment of tumors caused by metabolic dysfunction | 辛德弗雷克斯公司 | 2021-11-26 | — | — | CN | disclosed |