Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 3/20 | 0.46 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | DRD2 | P14416 | 3/20 | 0.42 |
| ▸ | DRD3 | P35462 | 3/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 5/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 5/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 5/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 5/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 5/20 | 0.41 |
| ▸ | CCKBR | P32239 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13689401 | 0.97 | OPRM1 (0.45) | OPRM1TMEM97SIGMAR1NPC1DRD2 | |
| SCHEMBL13691772 | 0.92 | OPRM1 (0.46) | OPRM1TMEM97SIGMAR1NPC1DRD2 | |
| SCHEMBL13188836 | 0.88 | NPC1 (0.46) | OPRM1TMEM97SIGMAR1NPC1DRD2 | |
| SCHEMBL13691768 | 0.88 | OPRM1 (0.45) | OPRM1TMEM97SIGMAR1NPC1DRD2 | |
| SCHEMBL13689397 | 0.87 | CXCR4 (0.43) | OPRM1TMEM97SIGMAR1NPC1DRD2 | |
| SCHEMBL13691797 | 0.87 | DRD2 (0.54) | OPRM1TMEM97SIGMAR1DRD2DRD3 | |
| SCHEMBL13188839 | 0.83 | TMEM97 (0.42) | OPRM1TMEM97SIGMAR1NPC1DRD2 | |
| SCHEMBL13189113 | 0.79 | UTS2R (0.38) | OPRM1TMEM97SIGMAR1NPC1DRD2 | |
| SCHEMBL13689530 | 0.79 | OPRM1 (0.42) | OPRM1TMEM97SIGMAR1NPC1DRD2 | |
| SCHEMBL13689396 | 0.79 | OPRM1 (0.45) | OPRM1TMEM97SIGMAR1NPC1DRD4 |
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 |