Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 5/20 | 0.54 |
| ▸ | DRD1 | P21728 | 5/20 | 0.54 |
| ▸ | DRD5 | P21918 | 3/20 | 0.54 |
| ▸ | DRD3 | P35462 | 3/20 | 0.54 |
| ▸ | DRD4 | P21917 | 2/20 | 0.54 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.50 |
| ▸ | ESR1 | P03372 | 5/20 | 0.50 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.49 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.49 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL31748922 | 0.92 | ESR2 (0.54) | DRD2DRD1DRD5DRD3DRD4 | |
| SCHEMBL2371462 | 0.87 | DRD2 (0.48) | DRD2DRD1DRD5DRD3DRD4 | |
| SCHEMBL11270263 | 0.85 | DRD2 (0.44) | DRD2DRD1DRD5DRD3DRD4 | |
| SCHEMBL3090107 | 0.83 | HRH3 (0.55) | DRD2DRD1DRD5DRD3DRD4 | |
| SCHEMBL2824273 | 0.83 | HRH3 (0.56) | DRD2DRD1DRD5DRD3DRD4 | |
| Hydrochloric Acid SCHEMBL1640486 | 0.81 | HRH3 (0.55) | DRD2DRD1DRD5DRD3DRD4 | |
| SCHEMBL17797651 | 0.79 | DRD2 (0.43) | DRD2GRIN2B | |
| SCHEMBL20909792 | 0.79 | HRH3 (0.40) | — | |
| SCHEMBL26777408 | 0.77 | CRBN (0.41) | DRD2DRD1DRD5DRD3DRD4 | |
| SCHEMBL3659296 | 0.77 | MEN1 (0.49) | DRD2DRD1DRD5DRD3DRD4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109810041-A | Halogenated allyl amine SSAO/VAP-1 inhibitor and its application | 南京药捷安康生物科技有限公司 | 2019-05-28 | — | — | CN | disclosed |