Known targets — ChEMBL curated mechanism
CACNA1CCACNA1DCACNA1FCACNA1SDPP4HTR1BHTR1D
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 | 0.79 |
| ▸ | FFAR1 | O14842 | 12/20 | 0.73 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.61 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.61 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.61 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.61 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.61 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.61 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.61 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.61 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.61 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.61 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.61 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.61 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.61 |
| ▸ | DAO | P14920 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| Phenyl Propionic Acid SCHEMBL235064 | 0.89 | KEAP1 (1.00) | KEAP1FFAR1HDAC3MAPK1ADRA1A | |
| Phenyl Propionic Acid SCHEMBL27523271 | 0.89 | KEAP1 (1.00) | KEAP1FFAR1HDAC3MAPK1ADRA1A | |
| Phenyl Propionic Acid SCHEMBL29619843 | 0.89 | KEAP1 (1.00) | KEAP1FFAR1HDAC3MAPK1ADRA1A | |
| Phenyl Propionic Acid SCHEMBL13618844 | 0.89 | KEAP1 (1.00) | KEAP1FFAR1HDAC3MAPK1ADRA1A | |
| Phenyl Propionic Acid SCHEMBL3419 | 0.89 | KEAP1 (1.00) | KEAP1FFAR1HDAC3MAPK1ADRA1A | |
| SCHEMBL264975 | 0.87 | FFAR1 (0.65) | KEAP1FFAR1TSHRFFAR4ALDH1A1 | |
| Phenyl Propionic Acid SCHEMBL7371546 | 0.87 | KEAP1 (0.95) | KEAP1FFAR1HDAC3MAPK1ADRA1A | |
| Phenyl Propionic Acid SCHEMBL2468015 | 0.87 | KEAP1 (0.95) | KEAP1FFAR1HDAC3MAPK1ADRA1A | |
| Phenyl Propionic Acid SCHEMBL9806324 | 0.87 | KEAP1 (0.95) | KEAP1FFAR1HDAC3MAPK1ADRA1A | |
| Phenyl Propionic Acid SCHEMBL11772455 | 0.87 | KEAP1 (0.95) | KEAP1FFAR1HDAC3MAPK1ADRA1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1100479-B1 | MEDICINAL PRODUCTS WITH RETARDED PHARMACOLOGICAL ACTIVITY AND METHOD FOR THE PRODUCTION THEREOF | SCHIERHOLZ JOERG DR DR (DE) | 2006-01-11 | — | — | EP | claimed |
| EP-3180317-A1 | FACTOR XIa INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2017-06-21 | — | — | EP | disclosed |
| WO-2016015593-A1 | FACTOR XIa INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-02-04 | — | — | WO | disclosed |