Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR1 | O14842 | 4/20 | 0.43 |
| ▸ | PDE2A | O00408 | 2/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 4/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | MC4R | P32245 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL954812 | 1.00 | FFAR1 (0.43) | FFAR1PDE2AKIF11ESR1ESR2 | |
| SCHEMBL31259082 | 0.83 | FFAR1 (0.42) | FFAR1KIF11ESR1ESR2MEN1 | |
| SCHEMBL10990831 | 0.81 | FFAR1 (0.40) | FFAR1PDE2AKIF11ESR1ESR2 | |
| SCHEMBL30564943 | 0.81 | FFAR1 (0.40) | FFAR1PDE2AKIF11ESR1ESR2 | |
| SCHEMBL28431443 | 0.81 | FFAR1 (0.40) | FFAR1PDE2AKIF11ESR1ESR2 | |
| SCHEMBL958288 | 0.80 | PNMT (0.47) | MEN1ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL11160463 | 0.79 | FFAR1 (0.38) | FFAR1PDE2AKIF11ESR1ESR2 | |
| SCHEMBL953000 | 0.79 | KMT2A (0.46) | FFAR1ESR1ESR2MEN1ALDH1A1 | |
| SCHEMBL29061981 | 0.79 | KMT2A (0.46) | FFAR1ESR1ESR2MEN1ALDH1A1 | |
| SCHEMBL28816454 | 0.78 | FFAR1 (0.51) | FFAR1PDE2AALDH1A1KMT2ACES2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116655482-B | Preparation method of gamma-aminobutyric acid derivatives | 贵州大学 | 2024-06-04 | — | — | CN | disclosed |
| CN-116655482-A | Preparation method of gamma-aminobutyric acid derivatives | 贵州大学 | 2023-08-29 | — | — | CN | disclosed |