Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | PTGIR | P43119 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.37 |
| ▸ | AGER | Q15109 | 1/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11296611 | 0.99 | SMN1; SMN2 (0.42) | SMN1; SMN2KMT2APTGIRCYP2C19CYP1A2 | |
| SCHEMBL11320422 | 0.98 | SMN1; SMN2 (0.43) | SMN1; SMN2KMT2APTGIRCYP2C19CYP1A2 | |
| SCHEMBL11292002 | 0.86 | BACE1 (0.42) | SMN1; SMN2KMT2ACYP2C19CYP1A2BACE1 | |
| SCHEMBL11294522 | 0.84 | CFTR (0.44) | SMN1; SMN2KMT2ACYP2C19CYP1A2CYP2D6 | |
| SCHEMBL11331169 | 0.82 | MTNR1A (0.43) | KMT2APTGIRCYP2C19CYP1A2CYP2D6 | |
| SCHEMBL11289885 | 0.81 | ALDH1A1 (0.43) | SMN1; SMN2PTGIRCYP2C19LTB4RCYP2D6 | |
| SCHEMBL11328174 | 0.81 | CYP3A4 (0.43) | SMN1; SMN2KMT2ACYP2C19CYP1A2CYP2D6 | |
| SCHEMBL11830823 | 0.81 | SIGMAR1 (0.52) | SMN1; SMN2KMT2ACYP2C19CYP1A2ALDH1A1 | |
| SCHEMBL11295980 | 0.81 | ALDH1A1 (0.42) | SMN1; SMN2PTGIRCYP2C19LTB4RCYP2D6 | |
| SCHEMBL11322643 | 0.79 | ALDH1A1 (0.43) | SMN1; SMN2PTGIRCYP2C19CYP1A2LTB4R |
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-0006217-B1 | SUBSTITUTED AMINO ACIDS, THEIR USE AND PREPARATION, AND COMPOSITIONS CONTAINING THEM | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 1982-03-31 | — | — | EP | disclosed |
| US-4243678-A | GASTROINTESTINAL DISORDERS, LIVER DISORDERS | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1981-01-06 | — | — | US | disclosed |
| EP-0006217-A1 | Substituted amino acids, their use and preparation, and compositions containing them | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 1980-01-09 | — | — | EP | disclosed |