Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.71 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.53 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.53 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.48 |
| ▸ | HRH1 | P35367 | 1/20 | 0.48 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.46 |
| ▸ | FAAH | O00519 | 5/20 | 0.45 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.44 |
| ▸ | KDM1A | O60341 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4622091 | 0.89 | BACE1 (0.71) | BACE1ITGB3ITGA2BHRH3CYP2D6 | |
| SCHEMBL4622208 | 0.89 | BACE1 (0.71) | BACE1ITGB3ITGA2BHRH3CYP2D6 | |
| SCHEMBL1269557 | 0.86 | BACE1 (0.67) | BACE1ITGB3ITGA2BHRH3CYP2D6 | |
| SCHEMBL361018 | 0.86 | BACE1 (0.67) | BACE1ITGB3ITGA2BHRH3CYP2D6 | |
| SCHEMBL4621878 | 0.86 | BACE1 (0.67) | BACE1ITGB3ITGA2BHRH3CYP2D6 | |
| Water SCHEMBL4978875 | 0.85 | BACE1 (0.66) | BACE1ITGB3ITGA2BHRH3CYP2D6 | |
| Hydrochloric Acid SCHEMBL4622991 | 0.85 | BACE1 (0.66) | BACE1ITGB3ITGA2BHRH3CYP2D6 | |
| Hydrochloric Acid SCHEMBL4622556 | 0.85 | BACE1 (0.66) | BACE1ITGB3ITGA2BHRH3CYP2D6 | |
| SCHEMBL14076210 | 0.85 | BACE1 (0.66) | BACE1ITGB3ITGA2BHRH3CYP2D6 | |
| Hydrochloric Acid SCHEMBL4345712 | 0.84 | BACE1 (0.65) | BACE1ITGB3ITGA2BHRH3CYP2D6 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1801232-B1 | METHOD OF SCREENING TRANSMEMBRANE ENZYME INHIBITORY SUBSTANCE | TAKEDA PHARMACEUTICAL (JP) | 2012-03-14 | — | — | EP | disclosed |
| US-20080220445-A1 | Method of Screening Transmembrane Enzyme Inhibitory Substance | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-09-11 | — | — | US | disclosed |
| US-20080220445-A1 | Method of Screening Transmembrane Enzyme Inhibitory Substance | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-09-11 | — | — | US | disclosed |
| US-7256204-B2 | Amine compounds, their production and use | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-08-14 | — | — | US | disclosed |
| US-7256204-B2 | Amine compounds, their production and use | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-08-14 | — | — | US | disclosed |
| EP-1801232-A1 | METHOD OF SCREENING TRANSMEMBRANE ENZYME INHIBITORY SUBSTANCE | Takeda Pharmaceutical Company Limited (JP) | 2007-06-27 | — | — | EP | disclosed |