Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.52 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.47 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.47 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
| ▸ | FAAH | O00519 | 5/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL4622642 | 0.98 | BACE1 (0.54) | BACE1ITGB3ITGA2BCYP26A1HRH3 | |
| Lithium Ion SCHEMBL7346623 | 0.95 | BACE1 (0.52) | BACE1ITGB3ITGA2BCYP26A1HRH3 | |
| SCHEMBL4623683 | 0.87 | BACE1 (0.54) | BACE1ITGB3ITGA2BCYP26A1HRH3 | |
| SCHEMBL4622208 | 0.84 | BACE1 (0.71) | BACE1ITGB3ITGA2BCYP26A1HRH3 | |
| SCHEMBL4622244 | 0.83 | ITGB3 (0.68) | BACE1ITGB3ITGA2BCYP26A1FAAH | |
| SCHEMBL14440080 | 0.81 | MCHR1 (0.53) | BACE1ITGB3ITGA2BCYP26A1HRH3 | |
| SCHEMBL14440091 | 0.81 | BACE1 (0.49) | BACE1ITGB3ITGA2BCYP26A1HRH3 | |
| Hydrochloric Acid SCHEMBL4622245 | 0.81 | BACE1 (0.48) | BACE1ITGB3ITGA2BCYP26A1HRH3 | |
| Hydrochloric Acid SCHEMBL4622314 | 0.80 | MCHR1 (0.52) | BACE1ITGB3ITGA2BCYP26A1HRH3 | |
| SCHEMBL14440085 | 0.79 | BACE1 (0.63) | BACE1HRH3CYP2D6HRH1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0971878-A1 | AMINE COMPOUNDS, THEIR PRODUCTION AND USE AS AMYLOID-BETA PRODUCTION INHIBITORS | Takeda Pharmaceutical Company Limited (JP) | 2000-01-19 | — | — | EP | disclosed |
| WO-1998038156-A1 | AMINE COMPOUNDS, THEIR PRODUCTION AND USE AS AMYLOID-BETA PRODUCTION INHIBITORS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-09-03 | — | — | WO | disclosed |