Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 5/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9487949 | 0.86 | MEN1 (0.43) | ADRA2AADRA2BADRA2CGAACYP1A2 | |
| SCHEMBL23003623 | 0.73 | CYP3A4 (0.48) | CYP3A4CYP17A1CYP19A1CYP11B2CYP11B1 | |
| SCHEMBL11360995 | 0.72 | ADRA2A (0.37) | ADRA2AADRA2BADRA2CCYP3A4SLC6A2 | |
| SCHEMBL23882867 | 0.72 | CYP3A4 (0.43) | CYP3A4CYP17A1CYP19A1CYP11B2CYP11B1 | |
| SCHEMBL23882860 | 0.72 | CYP3A4 (0.43) | CYP3A4CYP17A1CYP19A1CYP11B2CYP11B1 | |
| SCHEMBL30251473 | 0.72 | CYP3A4 (0.43) | CYP3A4CYP17A1CYP19A1CYP11B2CYP11B1 | |
| SCHEMBL23882759 | 0.72 | HDAC4 (0.47) | CYP3A4CYP17A1CYP19A1CYP11B2CYP11B1 | |
| SCHEMBL23882758 | 0.72 | HDAC4 (0.47) | CYP3A4CYP17A1CYP19A1CYP11B2CYP11B1 | |
| SCHEMBL9528623 | 0.72 | GAA (0.67) | CYP3A4CYP17A1CYP19A1CYP11B2CYP11B1 | |
| SCHEMBL9526348 | 0.72 | CYP11B1 (0.52) | CYP3A4CYP17A1CYP19A1CYP11B2CYP11B1 |
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-0231996-B1 | NOVEL AMINO ACID DERIVATIVES | NOVO NORDISK A/S (DK) | 1993-10-06 | — | — | EP | disclosed |
| EP-0231996-A2 | Novel amino acid derivatives | NOVO NORDISK A/S (DK) | 1987-08-12 | — | — | EP | disclosed |