Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.63 |
| ▸ | POLB | P06746 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21224914 | 0.90 | SMN1; SMN2 (0.52) | SMN1; SMN2POLBKMT2AKDM4EGAA | |
| SCHEMBL1321969 | 0.84 | MTNR1B (0.58) | SMN1; SMN2POLBKMT2ANPC1ALDH1A1 | |
| SCHEMBL29860059 | 0.84 | MTNR1B (0.58) | SMN1; SMN2POLBKMT2ANPC1ALDH1A1 | |
| SCHEMBL9829498 | 0.84 | SMN1; SMN2 (0.56) | SMN1; SMN2POLBKMT2AKDM4EGAA | |
| SCHEMBL3136136 | 0.83 | POLB (0.68) | SMN1; SMN2POLBKMT2AKDM4EGAA | |
| SCHEMBL14395325 | 0.83 | SMN1; SMN2 (0.49) | SMN1; SMN2POLBKMT2AKDM4EGAA | |
| SCHEMBL27974053 | 0.81 | POLB (0.53) | SMN1; SMN2POLBKMT2AKDM4EGAA | |
| SCHEMBL21224600 | 0.81 | SMN1; SMN2 (0.44) | SMN1; SMN2POLBKMT2AKDM4EGAA | |
| SCHEMBL28655814 | 0.81 | ALDH1A1 (0.61) | SMN1; SMN2POLBKMT2AKDM4EGAA | |
| SCHEMBL30039300 | 0.79 | MAPT (0.47) | SMN1; SMN2POLBKMT2AKDM4EGAA |
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-115838355-A | 1, 4-disubstituted piperazine-2, 5-diketone derivative, preparation method and application thereof | 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) | 2023-03-24 | — | — | CN | disclosed |