Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Phenyl Propionic 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 | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.64 |
| ▸ | HPGD | P15428 | 2/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.64 |
| ▸ | CA12 | O43570 | 1/20 | 0.64 |
| ▸ | CA1 | P00915 | 1/20 | 0.64 |
| ▸ | CA2 | P00918 | 1/20 | 0.64 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.64 |
| ▸ | CA4 | P22748 | 1/20 | 0.64 |
| ▸ | CA6 | P23280 | 1/20 | 0.64 |
| ▸ | CA7 | P43166 | 1/20 | 0.64 |
| ▸ | CA9 | Q16790 | 1/20 | 0.64 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.64 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.64 |
| ▸ | FFAR1 | O14842 | 10/20 | 0.63 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.56 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| Salicylic Acid SCHEMBL8669345 | 0.89 | ALDH1A1 (0.75) | KEAP1ALDH1A1SMN1; SMN2HPGDKDM4E | |
| Salicylic Acid SCHEMBL8746438 | 0.89 | ALDH1A1 (0.75) | KEAP1ALDH1A1SMN1; SMN2HPGDKDM4E | |
| Salicylic Acid SCHEMBL3677988 | 0.87 | ALDH1A1 (0.78) | ALDH1A1SMN1; SMN2HPGDKDM4ECA12 | |
| Adipic Acid SCHEMBL19349213 | 0.83 | ALDH1A1 (0.72) | ALDH1A1SMN1; SMN2HPGDKDM4ECA12 | |
| Phenyl Propionic Acid SCHEMBL27523271 | 0.82 | KEAP1 (1.00) | KEAP1ALDH1A1SMN1; SMN2FFAR1HDAC3 | |
| Phenyl Propionic Acid SCHEMBL29619843 | 0.82 | KEAP1 (1.00) | KEAP1ALDH1A1SMN1; SMN2FFAR1HDAC3 | |
| Phenyl Propionic Acid SCHEMBL13618844 | 0.82 | KEAP1 (1.00) | KEAP1ALDH1A1SMN1; SMN2FFAR1HDAC3 | |
| Phenyl Propionic Acid SCHEMBL235064 | 0.82 | KEAP1 (1.00) | KEAP1ALDH1A1SMN1; SMN2FFAR1HDAC3 | |
| Phenyl Propionic Acid SCHEMBL3419 | 0.82 | KEAP1 (1.00) | KEAP1ALDH1A1SMN1; SMN2FFAR1HDAC3 | |
| Salicylic Acid SCHEMBL28320595 | 0.82 | ALDH1A1 (0.64) | ALDH1A1SMN1; SMN2HPGDKDM4ECA12 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0835871-A1 | Benzo [b] thiophene compounds, intermediates, formulations, and methods | ELI LILLY AND COMPANY (US) | 1998-04-15 | — | — | EP | disclosed |