Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.48 |
| ▸ | AURKA | O14965 | 2/20 | 0.41 |
| ▸ | BCL6 | P41182 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | CRHBP | P24387 | 1/20 | 0.37 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.37 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.37 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL28744819 | 1.00 | EGFR (0.48) | EGFRAURKABCL6CYP2C9KDM4E | |
| SCHEMBL28744869 | 0.84 | MEN1 (0.40) | EGFRAURKACYP2C9KDM4ECYP1A2 | |
| SCHEMBL13068257 | 0.76 | POLB (0.47) | EGFRCYP2C9KDM4ECRHBPCRHR2 | |
| SCHEMBL28744881 | 0.74 | EGFR (0.52) | EGFRAURKA | |
| SCHEMBL28744854 | 0.74 | EGFR (0.52) | EGFRAURKA | |
| SCHEMBL29499585 | 0.74 | EGFR (0.52) | EGFRAURKA | |
| SCHEMBL29499581 | 0.74 | EGFR (0.52) | EGFRAURKA | |
| SCHEMBL29499593 | 0.74 | CDK19 (0.57) | EGFRAURKA | |
| SCHEMBL28744905 | 0.74 | CDK19 (0.57) | EGFRAURKA | |
| SCHEMBL28744909 | 0.74 | MAPK1 (0.50) | EGFR |
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-114276331-B | 4-aminopiperidine compound and preparation method, pharmaceutical composition and application thereof | 中国药科大学 | 2023-05-23 | — | — | CN | disclosed |
| CN-114276331-A | 4-aminopiperidine compound and preparation method, pharmaceutical composition and application thereof | 中国药科大学 | 2022-04-05 | — | — | CN | disclosed |