Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.43 |
| ▸ | NPY5R | Q15761 | 2/20 | 0.39 |
| ▸ | TDP2 | O95551 | 1/20 | 0.39 |
| ▸ | S100A4 | P26447 | 1/20 | 0.37 |
| ▸ | PTPRC | P08575 | 1/20 | 0.37 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.37 |
| ▸ | METAP1 | P53582 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL29922337 | 0.94 | OPRM1 (0.41) | OPRM1OPRD1NPY5RTDP2S100A4 | |
| SCHEMBL31394738 | 0.87 | AVPR1A (0.47) | OPRM1OPRD1NPY5RTDP2S100A4 | |
| SCHEMBL18373219 | 0.82 | OPRM1 (0.42) | OPRM1OPRD1NPY5RTDP2S100A4 | |
| SCHEMBL25867610 | 0.80 | TDP2 (0.39) | TDP2AVPR1ACA7L3MBTL1TDP1 | |
| SCHEMBL18373156 | 0.80 | NPY5R (0.45) | OPRM1OPRD1NPY5RTDP2AVPR1A | |
| SCHEMBL17586456 | 0.80 | OPRM1 (0.40) | OPRM1OPRD1NPY5RTDP2S100A4 | |
| SCHEMBL17586455 | 0.77 | OPRM1 (0.41) | OPRM1OPRD1NPY5RTDP2AVPR1A | |
| SCHEMBL17586460 | 0.77 | AVPR1A (0.48) | OPRM1OPRD1NPY5RAVPR1ASIGMAR1 | |
| SCHEMBL31758718 | 0.77 | NPY5R (0.36) | OPRM1OPRD1NPY5RTDP2PTPRC | |
| SCHEMBL31178327 | 0.77 | SIGMAR1 (0.54) | NPY5RAVPR1ATDP1SIGMAR1MAPT |
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-2023134656-A1 | PEPTIDYL NITRILE COMPOUND AND USE THEREOF | 上海壹典医药科技开发有限公司 | 2023-07-20 | — | — | WO | disclosed |