Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 11/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 5/20 | 0.38 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2846888 | 0.87 | CA1 (0.50) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL29401130 | 0.86 | CA1 (0.44) | CA1CA2CA7CYP2D6APP | |
| SCHEMBL12487277 | 0.86 | CA1 (0.44) | CA1CA2CA7CYP2D6APP | |
| SCHEMBL166957 | 0.86 | CYP2D6 (0.54) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL15071346 | 0.86 | CA1 (0.44) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL29255369 | 0.86 | CA1 (0.44) | CA1CA2CA7CYP2D6APP | |
| SCHEMBL27277997 | 0.86 | CA1 (0.44) | CA1CA2CA7CYP2D6APP | |
| SCHEMBL30714656 | 0.86 | CA1 (0.44) | CA1CA2CA7CYP2D6APP | |
| SCHEMBL14617645 | 0.85 | CA1 (0.42) | CA1CA2CA7CYP2D6APP | |
| SCHEMBL6829649 | 0.85 | APP (0.43) | CA1CA2CA7CYP2D6APP |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117069664-A | Method for preparing 4- (2-aminoethyl) piperazine-2, 6-dione derivative | 康化（上海）新药研发有限公司 | 2023-11-17 | — | — | CN | disclosed |