Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 8/20 | 1.00 |
| ▸ | DRD3 | P35462 | 7/20 | 1.00 |
| ▸ | DRD4 | P21917 | 5/20 | 1.00 |
| ▸ | CA12 | O43570 | 1/20 | 0.74 |
| ▸ | CA1 | P00915 | 1/20 | 0.74 |
| ▸ | CA2 | P00918 | 1/20 | 0.74 |
| ▸ | HTR1A | P08908 | 1/20 | 0.74 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.74 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.74 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.74 |
| ▸ | DRD1 | P21728 | 1/20 | 0.74 |
| ▸ | CA4 | P22748 | 1/20 | 0.74 |
| ▸ | CA6 | P23280 | 1/20 | 0.74 |
| ▸ | HTR2A | P28223 | 1/20 | 0.74 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.74 |
| ▸ | CA5A | P35218 | 1/20 | 0.74 |
| ▸ | CA7 | P43166 | 1/20 | 0.74 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.74 |
| ▸ | CA9 | Q16790 | 1/20 | 0.74 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.74 |
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 | |
|---|---|---|---|---|
| SCHEMBL10355479 | 1.00 | DRD2 (1.00) | DRD2DRD3DRD4CA12CA1 | |
| SCHEMBL10355469 | 0.89 | DRD3 (1.00) | DRD2DRD3DRD4 | |
| SCHEMBL5477770 | 0.89 | DRD3 (1.00) | DRD2DRD3DRD4 | |
| SCHEMBL10355542 | 0.89 | DRD3 (1.00) | DRD2DRD3DRD4 | |
| SCHEMBL27678962 | 0.89 | DRD2 (1.00) | DRD2DRD3DRD4CA12CA1 | |
| Veralipride SCHEMBL237519 | 0.85 | DRD2 (1.00) | DRD2DRD3DRD4CA12CA1 | |
| Veralipride SCHEMBL32682196 | 0.85 | DRD2 (1.00) | DRD2DRD3DRD4CA12CA1 | |
| SCHEMBL9550030 | 0.85 | DRD2 (0.73) | DRD2DRD3DRD4CA12CA1 | |
| SCHEMBL9550039 | 0.85 | DRD2 (0.73) | DRD2DRD3DRD4CA12CA1 | |
| SCHEMBL19219858 | 0.84 | DRD2 (0.85) | DRD2DRD3DRD4CA12CA1 |
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-0207913-B1 | CATECHOL CARBOXAMIDES, PROCESS FOR THEIR PREPARATION, INTERMEDIATES AND A PHARMACEUTICAL PREPARATION | Astra Läkemedel Aktiebolag (SE) | 1990-10-31 | — | — | EP | disclosed |
| EP-0207913-A1 | Catechol carboxamides, process for their preparation, intermediates and a pharmaceutical preparation | Astra Läkemedel Aktiebolag (SE) | 1987-01-07 | — | — | EP | disclosed |
| WO-1986007591-A1 | CATECHOLCARBOXAMIDES, PROCESS FOR THEIR PREPARATION, INTERMEDIATES AND A PHARMACEUTICAL PREPARATION | Astra Läkemedel Aktiebolag (SE) | 1986-12-31 | — | — | WO | disclosed |