Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD3 | P35462 | 4/20 | 0.43 |
| ▸ | DRD2 | P14416 | 3/20 | 0.43 |
| ▸ | MC4R | P32245 | 1/20 | 0.42 |
| ▸ | MC5R | P33032 | 1/20 | 0.42 |
| ▸ | MC3R | P41968 | 1/20 | 0.42 |
| ▸ | MC1R | Q01726 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | TACR2 | P21452 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13689520 | 0.87 | DRD3 (0.49) | DRD3DRD2MC4RMC5RMC3R | |
| SCHEMBL13691762 | 0.86 | NPC1 (0.44) | DRD3DRD2NPC1TP53MAPT | |
| SCHEMBL13689525 | 0.85 | DRD3 (0.51) | DRD3DRD2MC4RMC5RMC3R | |
| SCHEMBL13691855 | 0.82 | DRD2 (0.45) | DRD3DRD2TACR2HTR1ADRD4 | |
| SCHEMBL13691857 | 0.81 | DRD2 (0.45) | DRD3DRD2TACR2HTR1ACYP1A2 | |
| SCHEMBL13691793 | 0.78 | NPC1 (0.47) | DRD3DRD2NPC1DRD4RAB9A | |
| SCHEMBL13691800 | 0.78 | OPRK1 (0.49) | TACR2LMNATP53MAPTRAB9A | |
| SCHEMBL13691875 | 0.77 | DRD3 (0.45) | DRD3DRD2MC4RMC5RMC3R | |
| SCHEMBL13691766 | 0.77 | DRD3 (0.50) | DRD3DRD2MC4RMC5RMC3R | |
| SCHEMBL13691859 | 0.75 | OPRK1 (0.43) | DRD3DRD2MC4RMC5RMC3R |
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 |