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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | REN | P00797 | 1/20 | 0.39 |
| ▸ | GHSR | Q92847 | 1/20 | 0.39 |
| ▸ | ANPEP | P15144 | 1/20 | 0.38 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.38 |
| ▸ | DNPEP | Q9ULA0 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | ALPI | P09923 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | XIAP | P98170 | 1/20 | 0.37 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | CTSC | P53634 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Phenylalanine SCHEMBL1836984 | 0.99 | OPRK1 (0.39) | OPRK1RENGHSRANPEPRNPEP | |
| Dl-Phenylalanine SCHEMBL27895092 | 0.93 | REN (0.36) | OPRK1RENGHSRANPEPRNPEP | |
| Dl-Phenylalanine SCHEMBL28854621 | 0.91 | OPRK1 (0.42) | OPRK1RENGHSRANPEPRNPEP | |
| Phenylalanine SCHEMBL4287099 | 0.90 | KMT2A (0.37) | GHSRKMT2ATHRBALPIPKM | |
| Phenylalanine SCHEMBL1675279 | 0.88 | ALPI (0.48) | GHSRTHRBALPIPKMPTGS1 | |
| Dl-Phenylalanine SCHEMBL21878868 | 0.88 | ALPI (0.48) | GHSRTHRBALPIPKMPTGS1 | |
| Phenylalanine SCHEMBL3099767 | 0.88 | ALPI (0.48) | GHSRTHRBALPIPKMPTGS1 | |
| Dl-Phenylalanine SCHEMBL28078389 | 0.87 | KMT2A (0.36) | OPRK1RENGHSRKMT2ATHRB | |
| Lysine SCHEMBL7039219 | 0.87 | GSR (0.38) | KMT2ASLC7A5 | |
| Lysine SCHEMBL7039217 | 0.87 | GSR (0.38) | KMT2ASLC7A5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1317414-A2 | GAMMA-KETOACID DIPEPTIDES AS INHIBITORS OF CASPASE-3 | Merck Frosst Canada & Co. (CA) | 2003-06-11 | — | — | EP | disclosed |
| WO-2002020465-A2 | GAMMA-KETOACID DIPEPTIDES AS INHIBITORS OF CASPASE-3 | MERCK FROSST CANADA & CO. (CA) | 2002-03-14 | — | — | WO | disclosed |