Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.42 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 2/20 | 0.39 |
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | TOP1 | P11387 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | ARG2 | P78540 | 1/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 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 | |
|---|---|---|---|---|
| SCHEMBL5727501 | 1.00 | CYP2C9 (0.46) | CYP2C9CYP3A4TBXAS1GRIK1MAOB | |
| SCHEMBL1704959 | 0.85 | CYP3A4 (0.43) | CYP2C9CYP3A4GRIK1MAOBCES2 | |
| SCHEMBL10705798 | 0.85 | CTBP2 (0.42) | TBXAS1ALDH1A1TP53LMNA | |
| SCHEMBL800740 | 0.82 | CYP3A4 (0.61) | CYP2C9CYP3A4GRIK1MAOBCES2 | |
| SCHEMBL6951851 | 0.82 | MAOB (0.43) | MAOBTOP1ALDH1A1TP53LMNA | |
| SCHEMBL28128286 | 0.82 | ALDH1A1 (0.38) | MAOBALDH1A1TP53LMNACA1 | |
| SCHEMBL9380744 | 0.81 | GRIK1 (0.62) | CYP2C9CYP3A4TBXAS1GRIK1ALDH1A1 | |
| SCHEMBL17018866 | 0.81 | MEN1 (0.50) | ALDH1A1LMNA | |
| SCHEMBL165759 | 0.81 | TSHR (0.46) | CYP2C9CYP3A4GRIK1MAOBCES2 | |
| SCHEMBL29037546 | 0.80 | ELANE (0.40) | ALDH1A1LMNACA1CA2ARG2 |
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-0190687-B1 | PROCESS FOR PREPARING ETHYL-ALPHA-(1-CARBOXYETHYL)-AMINO-GAMMA-OXO-GAMMA-PHENYLBUTYRATE | KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1988-10-05 | — | — | EP | disclosed |
| EP-0190687-A1 | Process for preparing ethyl-alpha-(1-carboxyethyl)-amino-gamma-oxo-gamma-phenylbutyrate | KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1986-08-13 | — | — | EP | disclosed |