Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of Phenylalanine Methyl Ester. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC7A5 | Q01650 | 3/20 | 0.56 |
| ▸ | ALPI | P09923 | 1/20 | 0.56 |
| ▸ | PKM | P14618 | 1/20 | 0.56 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.56 |
| ▸ | XIAP | P98170 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | ANPEP | P15144 | 2/20 | 0.49 |
| ▸ | LTA4H | P09960 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.47 |
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 Methyl Ester SCHEMBL9301524 | 0.97 | SLC7A5 (0.56) | SLC7A5ALPIPKMPTGS1XIAP | |
| Phenylalanine Methyl Ester SCHEMBL9356083 | 0.97 | SLC7A5 (0.56) | SLC7A5ALPIPKMPTGS1XIAP | |
| Phenylalanine Methyl Ester SCHEMBL14988957 | 0.94 | MEN1 (0.57) | SLC7A5ALPIPKMPTGS1XIAP | |
| Phenylalanine Methyl Ester SCHEMBL74887 | 0.93 | SLC7A5 (0.63) | SLC7A5ALPIPKMPTGS1XIAP | |
| Phenylalanine Methyl Ester SCHEMBL27880854 | 0.93 | SLC7A5 (0.63) | SLC7A5ALPIPKMPTGS1XIAP | |
| Phenylalanine Methyl Ester SCHEMBL74888 | 0.93 | SLC7A5 (0.63) | SLC7A5ALPIPKMPTGS1XIAP | |
| Phenylalanine Methyl Ester SCHEMBL186022 | 0.93 | SLC7A5 (0.63) | SLC7A5ALPIPKMPTGS1XIAP | |
| Phenylalanine Methyl Ester SCHEMBL2728392 | 0.92 | SLC7A5 (0.61) | SLC7A5ALPIPKMPTGS1XIAP | |
| Phenylalanine Methyl Ester SCHEMBL136408 | 0.92 | SLC7A5 (0.61) | SLC7A5ALPIPKMPTGS1XIAP | |
| Phenylalanine Methyl Ester SCHEMBL136409 | 0.92 | SLC7A5 (0.61) | SLC7A5ALPIPKMPTGS1XIAP |
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-1931619-B1 | METHANESULPHONIC ACID SALT OF DIHYDROPHENYLGLYCINE METHYL ESTER OR OF PHENYLGLYCINE METHYL ESTER | DSM SINOCHEM PHARM NL BV (NL) | 2015-06-24 | — | — | EP | disclosed |
| US-20080249329-A1 | Process For Esterification Of An Organic Acid | DSM IP ASSETS B.V. (NL) | 2008-10-09 | — | — | US | disclosed |