Known targets — ChEMBL curated mechanism
PPARDPTGS1PTGS2dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Phenylalanine. 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 | |
|---|---|---|---|---|
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.41 |
| ▸ | ITGB3 | P05106 | 7/20 | 0.48 |
| ▸ | ITGA2B | P08514 | 7/20 | 0.48 |
| ▸ | GNPAT | O15228 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.42 |
| ▸ | LNPEP | Q9UIQ6 | 1/20 | 0.42 |
| ▸ | ALPI | P09923 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | XIAP | P98170 | 1/20 | 0.41 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.41 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Lysine SCHEMBL2196767 | 0.93 | ITGB3 (0.46) | ITGB3ITGA2BGNPATERAP2LNPEP | |
| Phenylalanine SCHEMBL18297982 | 0.89 | SLC7A5 (0.50) | ITGB3ITGA2BMMP2ERAP2LNPEP | |
| Phenylalanine SCHEMBL2162816 | 0.85 | ITGB3 (0.36) | ITGB3ITGA2BGNPATMMP2ERAP2 | |
| Dl-Phenylalanine SCHEMBL23580654 | 0.85 | SLC7A5 (0.43) | ITGB3ITGA2BMMP2ERAP2LNPEP | |
| SCHEMBL5969682 | 0.84 | ERAP2 (0.51) | GNPATMMP2ERAP2LNPEP | |
| Histidine SCHEMBL9224491 | 0.84 | ITGB3 (0.39) | ITGB3ITGA2BGNPATALPIPKM | |
| Lysine SCHEMBL28465641 | 0.83 | SLC15A2 (0.48) | ITGB3ITGA2BERAP2LNPEP | |
| Lysine SCHEMBL1050579 | 0.83 | SLC15A2 (0.48) | ITGB3ITGA2BERAP2LNPEP | |
| SCHEMBL29397843 | 0.83 | SLC15A2 (0.46) | ITGB3ITGA2BGNPATACE2CPA1 | |
| SCHEMBL29396585 | 0.83 | SLC15A2 (0.46) | ITGB3ITGA2BGNPATACE2CPA1 |
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-1658274-A4 | INHIBITORS OF CATHEPSIN S | IRM LLC (BM) | 2008-11-12 | — | — | EP | disclosed |
| EP-1658274-A2 | INHIBITORS OF CATHEPSIN S | IRM LLC (BM) | 2006-05-24 | — | — | EP | disclosed |
| WO-2005018568-A2 | INHIBITORS OF CATHEPSIN S | IRM LLC (BM) | 2005-03-03 | — | — | WO | disclosed |