Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL227491 | 0.84 | GAA (0.65) | GAACYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL3858791 | 0.84 | GAA (0.65) | GAACYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL28973546 | 0.84 | GAA (0.65) | GAACYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8017822 | 0.80 | GAA (1.00) | GAACYP3A4CYP17A1SLC6A2SLC6A4 | |
| SCHEMBL8805155 | 0.80 | GAA (0.56) | GAACYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL598722 | 0.79 | GAA (0.57) | GAACYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL23003623 | 0.78 | CYP3A4 (0.48) | GAACYP3A4CYP17A1CYP19A1CYP11B1 | |
| SCHEMBL8496291 | 0.78 | GAA (0.54) | GAACYP3A4CYP17A1CYP19A1CYP11B1 | |
| SCHEMBL23882948 | 0.78 | ACHE (0.49) | GAACYP3A4CYP17A1CYP19A1CYP11B1 | |
| SCHEMBL23882694 | 0.78 | ACHE (0.49) | GAACYP3A4CYP17A1CYP19A1CYP11B1 |
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-0231996-B1 | NOVEL AMINO ACID DERIVATIVES | NOVO NORDISK A/S (DK) | 1993-10-06 | — | — | EP | disclosed |
| US-4931450-A | Amino acid derivatives | NOVO INDUSTRI A/S (DK) | 1990-06-05 | — | — | US | disclosed |
| EP-0231996-A2 | Novel amino acid derivatives | NOVO NORDISK A/S (DK) | 1987-08-12 | — | — | EP | disclosed |