Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 2/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 4/20 | 0.40 |
| ▸ | DRD3 | P35462 | 4/20 | 0.40 |
| ▸ | CASP1 | P29466 | 2/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | MC4R | P32245 | 1/20 | 0.37 |
| ▸ | MC5R | P33032 | 1/20 | 0.37 |
| ▸ | MC3R | P41968 | 1/20 | 0.37 |
| ▸ | MC1R | Q01726 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 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 | |
|---|---|---|---|---|
| SCHEMBL13691769 | 0.87 | OPRM1 (0.46) | OPRM1TMEM97SIGMAR1DRD4NPC1 | |
| SCHEMBL13691772 | 0.86 | OPRM1 (0.46) | OPRM1TMEM97SIGMAR1DRD4NPC1 | |
| SCHEMBL13190972 | 0.85 | CXCR4 (0.46) | CXCR4OPRM1TMEM97SIGMAR1DRD4 | |
| SCHEMBL13689401 | 0.85 | OPRM1 (0.45) | OPRM1TMEM97SIGMAR1DRD4NPC1 | |
| SCHEMBL13691797 | 0.84 | DRD2 (0.54) | OPRM1TMEM97SIGMAR1DRD4DRD2 | |
| SCHEMBL13188836 | 0.83 | NPC1 (0.46) | OPRM1TMEM97SIGMAR1DRD4NPC1 | |
| SCHEMBL13691768 | 0.83 | OPRM1 (0.45) | OPRM1TMEM97SIGMAR1NPC1DRD2 | |
| SCHEMBL13691803 | 0.79 | ITGB3 (0.38) | OPRM1TMEM97SIGMAR1DRD4NPC1 | |
| SCHEMBL13188839 | 0.78 | TMEM97 (0.42) | OPRM1TMEM97SIGMAR1DRD4NPC1 | |
| SCHEMBL13691796 | 0.77 | OPRM1 (0.38) | OPRM1TMEM97SIGMAR1DRD4NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009105823-A1 | 3-AMINOALKYL-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS | MIMETICA PTY LTD (AU) | 2009-09-03 | — | — | WO | disclosed |
| WO-2009105824-A1 | METHODS OF MODULATING THE ACTIVITY OF THE MC5 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR | MIMETICA PTY LTD (AU) | 2009-09-03 | — | — | WO | disclosed |