Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 4/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.40 |
| ▸ | MME | P08473 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28173275 | 0.98 | AKT1 (0.43) | AKT1OPRM1HDAC1MMEDRD2 | |
| SCHEMBL3032228 | 0.87 | AKR1C1 (0.47) | AKT1OPRM1HDAC1MME | |
| SCHEMBL6618787 | 0.86 | HDAC1 (0.44) | HDAC1ALDH1A1HDAC3HDAC7HDAC2 | |
| SCHEMBL30711945 | 0.86 | AKT1 (0.45) | AKT1OPRM1HDAC1MMEALDH1A1 | |
| Chloromethane SCHEMBL25296246 | 0.83 | OPRM1 (0.46) | AKT1OPRM1HDAC1MME | |
| SCHEMBL18897338 | 0.83 | AKT1 (0.41) | AKT1OPRM1HDAC1MMEDRD2 | |
| SCHEMBL4770404 | 0.82 | HDAC1 (0.53) | HDAC1ALDH1A1HDAC3HDAC7HDAC2 | |
| SCHEMBL10112796 | 0.82 | OPRM1 (0.51) | AKT1OPRM1HDAC1 | |
| SCHEMBL27594934 | 0.81 | DRD2 (0.59) | AKT1OPRM1DRD2ALDH1A1 | |
| SCHEMBL28231788 | 0.81 | OPRM1 (0.43) | OPRM1HDAC1DRD2HDAC2 |
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-108358936-A | Piperazine ketone compounds containing piperidine ring and its preparation method and application | 山东大学 | 2018-08-03 | — | — | CN | claimed |
| CN-108358936-A | Piperazine ketone compounds containing piperidine ring and its preparation method and application | 山东大学 | 2018-08-03 | — | — | CN | disclosed |
| CN-104876934-B | A kind of nitrogen heterocyclic ring phenylpiperidine compound and preparation method and application | 山东大学 | 2017-08-11 | — | — | CN | disclosed |