Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 1/20 | 0.47 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.47 |
| ▸ | MC4R | P32245 | 4/20 | 0.43 |
| ▸ | MC1R | Q01726 | 4/20 | 0.43 |
| ▸ | MC3R | P41968 | 3/20 | 0.43 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 7/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 7/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 6/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 5/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 5/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 5/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.43 |
| ▸ | HDAC9 | Q9UKV0 | 5/20 | 0.43 |
| ▸ | HDAC5 | Q9UQL6 | 5/20 | 0.43 |
| ▸ | MC5R | P33032 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | TGM2 | P21980 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13188835 | 0.84 | OPRM1 (0.44) | ITGB3ITGA2BMC4RMC1RMC3R | |
| SCHEMBL13190968 | 0.78 | OPRM1 (0.46) | HDAC3HDAC1HDAC2HDAC4HDAC7 | |
| SCHEMBL8525943 | 0.78 | MCHR1 (0.59) | MC4RMC1RMC3RMCHR1HDAC3 | |
| SCHEMBL8526187 | 0.78 | MCHR1 (0.60) | MC4RMC1RMC3RMCHR1HDAC3 | |
| SCHEMBL7750688 | 0.77 | MCHR1 (0.59) | MCHR1HDAC3HDAC1HDAC2HDAC4 | |
| SCHEMBL13188826 | 0.76 | OPRM1 (0.49) | MC4RMC1RMC3RHDAC3HDAC1 | |
| SCHEMBL7751919 | 0.75 | MCHR1 (0.53) | MC4RMC1RMC3RMCHR1TGM2 | |
| SCHEMBL13689518 | 0.75 | OPRM1 (0.47) | MC4RMC1RMC3RHDAC3HDAC1 | |
| SCHEMBL19474263 | 0.74 | CCKBR (0.43) | HDAC3HDAC1HDAC2HDAC4HDAC7 | |
| SCHEMBL19474279 | 0.74 | CCKBR (0.43) | HDAC3HDAC1HDAC2HDAC4HDAC7 |
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 |