Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 3/20 | 0.36 |
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | DRD3 | P35462 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23706719 | 0.59 | — | — | |
| SCHEMBL24510333 | 0.57 | MEN1 (0.32) | — | |
| Potassium Ion SCHEMBL29475097 | 0.56 | PNMT (0.36) | PNMTDRD2DRD3 | |
| SCHEMBL21605445 | 0.56 | DRD2 (0.36) | PNMTDRD2DRD3 | |
| SCHEMBL2115873 | 0.55 | — | — | |
| SCHEMBL22908212 | 0.55 | — | — | |
| SCHEMBL22488571 | 0.55 | — | — | |
| SCHEMBL25281145 | 0.55 | PNMT (0.46) | PNMTDRD2DRD3 | |
| SCHEMBL22482053 | 0.54 | HTR2A (0.40) | PNMTDRD2DRD3 | |
| SCHEMBL22269214 | 0.54 | MAOB (0.31) | — |
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-2334676-A1 | SUBSTITUTED 3 -AMIN0- 1-0X0 OR THIOXO-I, 2,5,6,7, 8-HEXAHYDR0-2, 7-NAPHTHYRIDINE-4-CARB0NITRILES AS SELECTIVE ALPHA 2B ANTAGONISTS | Allergan, Inc. (US) | 2011-06-22 | — | — | EP | disclosed |
| WO-2010033393-A1 | SUBSTITUTED 3 -AMIN0- 1-0X0 OR THIOXO-I, 2,5,6,7, 8-HEXAHYDR0-2, 7-NAPHTHYRIDINE-4-CARB0NITRILES AS SELECTIVE ALPHA 2B ANTAGONISTS | ALLERGAN, INC. (US) | 2010-03-25 | — | — | WO | disclosed |