Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 5/20 | 0.50 |
| ▸ | NR1H3 | Q13133 | 4/20 | 0.50 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | RORC | P51449 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | PDE5A | O76074 | 1/20 | 0.37 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.37 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.36 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.36 |
| ▸ | FPR2 | P25090 | 3/20 | 0.36 |
| ▸ | FPR3 | P25089 | 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 | |
|---|---|---|---|---|
| SCHEMBL3697218 | 0.89 | DPP4 (0.47) | NR1H2NR1H3PARP1RORCKMT2A | |
| SCHEMBL25913721 | 0.89 | DPP4 (0.47) | NR1H2NR1H3PARP1RORCKMT2A | |
| SCHEMBL8140446 | 0.88 | PARP1 (0.43) | NR1H2NR1H3PARP1DPP4DPP7 | |
| SCHEMBL1673503 | 0.88 | MEN1 (0.43) | NR1H2NR1H3PARP1KMT2A | |
| SCHEMBL4325057 | 0.87 | NR1H2 (0.49) | NR1H2NR1H3PARP1RORCDPP4 | |
| SCHEMBL22285173 | 0.87 | NR1H2 (0.49) | NR1H2NR1H3PARP1RORCDPP4 | |
| SCHEMBL874416 | 0.87 | NR1H2 (0.49) | NR1H2NR1H3PARP1RORCDPP4 | |
| SCHEMBL31470897 | 0.85 | GPR119 (0.46) | NR1H2NR1H3PARP1 | |
| SCHEMBL31408651 | 0.85 | PARP1 (0.41) | NR1H2NR1H3PARP1KMT2ADPP4 | |
| SCHEMBL8880888 | 0.85 | GPR119 (0.46) | NR1H2NR1H3PARP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116178377-A | Pain-resistant compounds and methods of making the same | 山东新时代药业有限公司 | 2023-05-30 | — | — | CN | disclosed |
| CN-111417637-B | Anti-pain compounds and process for preparing same | 山东新时代药业有限公司 | 2022-09-13 | — | — | CN | disclosed |
| CN-109897044-A | Anti- neurogenic pain compound and preparation method thereof | 北京大学 | 2019-06-18 | — | — | CN | disclosed |