Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CTSK | P43235 | 3/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.39 |
| ▸ | CTSS | P25774 | 2/20 | 0.38 |
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.37 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.36 |
| ▸ | REN | P00797 | 2/20 | 0.36 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL24387611 | 0.86 | CA1 (0.49) | CYP2D6CA2CA1CA7CTSK | |
| SCHEMBL4408873 | 0.84 | CYP2D6 (0.50) | CYP2D6CA2CA1CA7CTSK | |
| SCHEMBL18428106 | 0.81 | CYP2D6 (0.55) | CYP2D6CA2CA1CA7CTSK | |
| SCHEMBL14489658 | 0.80 | CYP2D6 (0.46) | CYP2D6CA2CA1CA7CTSK | |
| SCHEMBL16285802 | 0.80 | CYP2D6 (0.46) | CYP2D6CA2CA1CA7CTSK | |
| SCHEMBL22404434 | 0.80 | CA1 (0.47) | CYP2D6CA2CA1CA7CTSK | |
| SCHEMBL272149 | 0.80 | CYP2D6 (0.46) | CYP2D6CA2CA1CA7CTSK | |
| SCHEMBL272147 | 0.80 | CYP2D6 (0.46) | CYP2D6CA2CA1CA7CTSK | |
| SCHEMBL1318454 | 0.78 | CTSK (0.48) | CYP2D6CA2CA1CA7CTSK | |
| SCHEMBL22231132 | 0.78 | CYP2D6 (0.45) | CYP2D6CA2CA1CA7CTSK |
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-112094224-B | Preparation method of 3-substituted-5-aminopiperidine with protecting group | 浙江医药股份有限公司新昌制药厂 | 2022-08-26 | — | — | CN | disclosed |
| CN-112094224-A | Preparation method of 3-substituted-5-aminopiperidine with protecting group | 太景生物科技股份有限公司 | 2020-12-18 | — | — | CN | disclosed |
| CN-107021916-B | Preparation method of trans-3-methyl-5-benzylaminopiperidine | 浙江医药股份有限公司 | 2020-06-12 | — | — | CN | disclosed |