Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 5/20 | 0.42 |
| ▸ | MPO | P05164 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | NT5E | P21589 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | BCHE | P06276 | 3/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.33 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23202854 | 1.00 | ACHE (0.42) | ACHEMPOKDM4ENT5EKMT2A | |
| SCHEMBL5433753 | 0.84 | NT5E (0.46) | ACHEMPOKDM4ENT5EBCHE | |
| SCHEMBL29875500 | 0.84 | NT5E (0.46) | ACHEMPOKDM4ENT5EBCHE | |
| SCHEMBL5437258 | 0.81 | KDM4E (0.49) | ACHEMPOKDM4EKMT2AMAPT | |
| SCHEMBL858917 | 0.81 | MAPT (0.56) | ACHEMPOKMT2AMAPTMEN1 | |
| SCHEMBL5638415 | 0.79 | POLB (0.50) | ACHEMPOKMT2ABCHE | |
| SCHEMBL30415489 | 0.79 | POLB (0.50) | ACHEMPOKMT2ABCHE | |
| SCHEMBL26649582 | 0.78 | ACHE (0.39) | ACHEMPOKDM4EKMT2AMEN1 | |
| SCHEMBL19610607 | 0.77 | GRM2 (0.42) | ACHEMPOKDM4EKMT2AMEN1 | |
| SCHEMBL12601430 | 0.77 | ACHE (0.38) | ACHEMPOKDM4EKMT2AMEN1 |
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-112204010-B | Heterocyclic derivatives and uses thereof | C&C新药研究所 | 2024-03-19 | — | — | CN | disclosed |