Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.36 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.36 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.36 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | PLG | P00747 | 1/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.36 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.36 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL4966249 | 0.93 | HDAC6 (0.40) | HDAC6OPRM1OPRD1OPRK1HDAC3 | |
| SCHEMBL4966598 | 0.90 | MCHR1 (0.41) | HDAC6OPRM1OPRD1OPRK1MCHR1 | |
| SCHEMBL4963719 | 0.86 | MEN1 (0.45) | HDAC1MCHR1SLC8A1KMT2AALDH1A1 | |
| SCHEMBL4965823 | 0.86 | MEN1 (0.45) | HDAC1MCHR1SLC8A1KMT2AALDH1A1 | |
| SCHEMBL5332629 | 0.84 | OPRM1 (0.58) | HDAC6OPRM1OPRD1OPRK1HDAC3 | |
| SCHEMBL4965887 | 0.84 | OPRM1 (0.58) | HDAC6OPRM1OPRD1OPRK1HDAC3 | |
| SCHEMBL4968023 | 0.82 | OPRM1 (0.46) | OPRM1OPRD1OPRK1MCHR1ITGB3 | |
| SCHEMBL4971525 | 0.81 | OPRM1 (0.40) | OPRM1OPRK1HDAC1SLC8A1KMT2A | |
| SCHEMBL4965646 | 0.79 | OPRM1 (0.41) | OPRM1OPRD1OPRK1HDAC1PRSS1 | |
| SCHEMBL4965638 | 0.79 | OPRM1 (0.41) | OPRM1OPRD1OPRK1HDAC3HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1730140-B1 | OPIOID RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 2008-06-25 | — | — | EP | claimed |