Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 9/20 | 0.52 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 3/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | MLNR | O43193 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7848518 | 0.94 | ACHE (0.51) | ACHEHTR2AHTR2CSIGMAR1HTR2B | |
| Hydrochloric Acid SCHEMBL7846217 | 0.90 | ACHE (0.55) | ACHEHTR2A | |
| Hydrochloric Acid SCHEMBL7838869 | 0.86 | ACHE (0.50) | ACHECYP2D6 | |
| SCHEMBL7847081 | 0.85 | ALDH1A1 (0.55) | ACHESIGMAR1 | |
| Hydrochloric Acid SCHEMBL7837919 | 0.84 | ACHE (0.53) | ACHE | |
| Hydrochloric Acid SCHEMBL7848519 | 0.84 | ALDH1A1 (0.54) | ACHESIGMAR1 | |
| Hydrochloric Acid SCHEMBL7846896 | 0.83 | ALDH1A1 (0.51) | ACHESIGMAR1 | |
| SCHEMBL7847165 | 0.81 | LMNA (0.44) | ACHEHTR2CHTR2B | |
| SCHEMBL7846350 | 0.81 | ACHE (0.53) | ACHEHTR2AHTR2CSIGMAR1HTR2B | |
| SCHEMBL7850501 | 0.80 | ACHE (0.51) | ACHE |
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 |