Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 15/20 | 0.36 |
| ▸ | BCHE | P06276 | 8/20 | 0.36 |
| ▸ | ESR1 | P03372 | 3/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 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 | |
|---|---|---|---|---|
| SCHEMBL7838268 | 0.90 | ACHE (0.39) | ACHEBCHEESR1ESR2DRD2 | |
| SCHEMBL7846900 | 0.84 | ACHE (0.38) | ACHEBCHEDRD2HTR2AHTR7 | |
| SCHEMBL7843672 | 0.82 | ACHE (0.41) | ACHEBCHE | |
| SCHEMBL7850298 | 0.82 | ACHE (0.54) | ACHEBCHE | |
| SCHEMBL7838356 | 0.82 | ACHE (0.38) | ACHEBCHE | |
| Hydrochloric Acid SCHEMBL7838225 | 0.81 | ACHE (0.53) | ACHEBCHE | |
| SCHEMBL7847874 | 0.74 | ESR1 (0.38) | ACHEESR1ESR2 | |
| SCHEMBL2315005 | 0.70 | ESR1 (0.41) | ESR1ESR2 | |
| Hydrochloric Acid SCHEMBL7847861 | 0.70 | ACHE (0.65) | ACHEBCHE | |
| SCHEMBL7672658 | 0.67 | ACHE (0.65) | ACHEBCHEDRD2HTR2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1122252-A1 | NITROGENOUS FUSED HETEROCYCLE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME | Takeda Chemical Industries, Ltd. (JP) | 2001-08-08 | — | — | EP | disclosed |