Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK2 | O60674 | 1/20 | 0.45 |
| ▸ | JAK1 | P23458 | 1/20 | 0.45 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.41 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.41 |
| ▸ | GHSR | Q92847 | 6/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 2/20 | 0.39 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.39 |
| ▸ | STS | P08842 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | AKT1 | P31749 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL582271 | 0.84 | NR1H2 (0.53) | JAK2JAK1NR1H2NR1H3PARP1 | |
| SCHEMBL15353299 | 0.84 | NR1H2 (0.53) | JAK2JAK1NR1H2NR1H3PARP1 | |
| SCHEMBL15880038 | 0.84 | NR1H2 (0.53) | JAK2JAK1NR1H2NR1H3PARP1 | |
| SCHEMBL7520525 | 0.76 | ABCB1 (0.49) | GHSRPARP1 | |
| SCHEMBL31122968 | 0.75 | PARP1 (0.39) | NR1H2NR1H3PARP1ATMKDM1A | |
| SCHEMBL19389933 | 0.75 | GPR119 (0.43) | JAK2JAK1NR1H2NR1H3GHSR | |
| SCHEMBL3941124 | 0.74 | ATM (0.43) | PARP1ATMKDM1A | |
| SCHEMBL21360450 | 0.74 | ATM (0.43) | PARP1ATMKDM1A | |
| SCHEMBL19390116 | 0.74 | ATM (0.41) | NR1H2PARP1ATMKDM1A | |
| SCHEMBL5838439 | 0.74 | ALDH1A1 (0.40) | NR1H2NR1H3ATMKDM1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105646332-B | Aminomethylpiperidine analog derivative and preparation method thereof and medicinal usage | 复旦大学 | 2018-05-25 | — | — | CN | disclosed |
| CN-105646332-A | Aminomethylpiperidine derivatives, and preparation method and pharmaceutical application thereof | 复旦大学 | 2016-06-08 | — | — | CN | disclosed |