Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 2/20 | 0.38 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.38 |
| ▸ | DRD2 | P14416 | 3/20 | 0.37 |
| ▸ | DRD3 | P35462 | 3/20 | 0.37 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.37 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13691803 | 0.98 | ITGB3 (0.38) | OPRM1TMEM97SIGMAR1DRD2DRD3 | |
| SCHEMBL13689532 | 0.90 | DRD4 (0.36) | OPRM1TMEM97SIGMAR1DRD2DRD3 | |
| SCHEMBL13689530 | 0.89 | OPRM1 (0.42) | OPRM1TMEM97SIGMAR1DRD2DRD3 | |
| SCHEMBL13689529 | 0.88 | ITGB3 (0.37) | OPRM1TMEM97SIGMAR1DRD2DRD3 | |
| SCHEMBL13188839 | 0.81 | TMEM97 (0.42) | OPRM1TMEM97SIGMAR1DRD2DRD3 | |
| SCHEMBL13188849 | 0.80 | OPRM1 (0.42) | OPRM1TMEM97SIGMAR1DRD2DRD3 | |
| SCHEMBL13188826 | 0.79 | OPRM1 (0.49) | OPRM1TMEM97SIGMAR1DRD2DRD3 | |
| SCHEMBL19474279 | 0.78 | CCKBR (0.43) | OPRM1TMEM97SIGMAR1DRD2DRD3 | |
| SCHEMBL19474263 | 0.78 | CCKBR (0.43) | OPRM1TMEM97SIGMAR1DRD2DRD3 | |
| SCHEMBL13190968 | 0.78 | OPRM1 (0.46) | OPRM1TMEM97SIGMAR1DRD2DRD3 |
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 |