Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 13/20 | 0.54 |
| ▸ | DRD3 | P35462 | 12/20 | 0.54 |
| ▸ | ADRA1A | P35348 | 7/20 | 0.48 |
| ▸ | HTR1A | P08908 | 6/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 5/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.47 |
| ▸ | DRD4 | P21917 | 3/20 | 0.47 |
| ▸ | MC4R | P32245 | 1/20 | 0.46 |
| ▸ | MC5R | P33032 | 1/20 | 0.46 |
| ▸ | MC3R | P41968 | 1/20 | 0.46 |
| ▸ | MC1R | Q01726 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | DRD1 | P21728 | 2/20 | 0.46 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.46 |
| ▸ | HTR2A | P28223 | 2/20 | 0.46 |
| ▸ | HTR2C | P28335 | 2/20 | 0.46 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.46 |
| ▸ | HTR2B | P41595 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL13689526 | 0.89 | SMYD2 (0.45) | DRD2DRD3MEN1KMT2A | |
| SCHEMBL13689521 | 0.89 | OPRK1 (0.51) | DRD2DRD3DRD4TMEM97SIGMAR1 | |
| SCHEMBL13691769 | 0.87 | OPRM1 (0.46) | DRD2DRD3DRD4MEN1KMT2A | |
| SCHEMBL13689520 | 0.87 | DRD3 (0.49) | DRD2DRD3ADRA1AHTR1AADRA2A | |
| SCHEMBL13689401 | 0.86 | OPRM1 (0.45) | DRD2DRD3ADRA1ADRD4OPRM1 | |
| SCHEMBL13691772 | 0.86 | OPRM1 (0.46) | DRD2DRD3DRD4MEN1KMT2A | |
| SCHEMBL13689525 | 0.85 | DRD3 (0.51) | DRD2DRD3ADRA1AHTR1AADRA2A | |
| SCHEMBL13188836 | 0.84 | NPC1 (0.46) | DRD2DRD3DRD4MEN1KMT2A | |
| SCHEMBL13691767 | 0.84 | DRD3 (0.56) | DRD2DRD3ADRA1AHTR1AADRA2A | |
| SCHEMBL13689397 | 0.84 | CXCR4 (0.43) | DRD2DRD3SLC6A2SLC6A4DRD4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009105823-A1 | 3-AMINOALKYL-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS | MIMETICA PTY LTD (AU) | 2009-09-03 | — | — | WO | disclosed |