Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.71 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.71 |
| ▸ | CCR3 | P51677 | 1/20 | 0.69 |
| ▸ | DRD2 | P14416 | 2/20 | 0.65 |
| ▸ | DRD4 | P21917 | 2/20 | 0.65 |
| ▸ | DRD3 | P35462 | 2/20 | 0.65 |
| ▸ | BACE1 | P56817 | 2/20 | 0.62 |
| ▸ | BCHE | P06276 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.59 |
| ▸ | HTR2A | P28223 | 1/20 | 0.59 |
| ▸ | MC4R | P32245 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL7319631 | 0.92 | ACHE (0.62) | ACHESIGMAR1CCR3DRD2DRD4 | |
| SCHEMBL13432184 | 0.91 | MC4R (0.70) | ACHESIGMAR1CCR3DRD2DRD4 | |
| SCHEMBL3352682 | 0.89 | SIGMAR1 (0.68) | ACHESIGMAR1CCR3DRD2DRD4 | |
| SCHEMBL1232375 | 0.88 | ACHE (0.67) | ACHESIGMAR1CCR3DRD2DRD4 | |
| Hydrochloric Acid SCHEMBL20607541 | 0.88 | SIGMAR1 (0.66) | ACHESIGMAR1CCR3DRD2DRD4 | |
| SCHEMBL22728510 | 0.87 | ACHE (0.61) | ACHESIGMAR1CCR3DRD2DRD4 | |
| SCHEMBL13154555 | 0.86 | ACHE (0.56) | ACHESIGMAR1CCR3DRD2DRD4 | |
| Hydrochloric Acid SCHEMBL28439633 | 0.86 | ACHE (0.65) | ACHESIGMAR1CCR3DRD2DRD4 | |
| SCHEMBL2087027 | 0.85 | ACHE (0.59) | ACHESIGMAR1CCR3DRD2DRD4 | |
| SCHEMBL6182247 | 0.85 | HRH3 (0.59) | ACHESIGMAR1CCR3DRD2DRD4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004066960-A2 | COMBINATION OF H1, H3 AND H4 RECEPTOR ANTAGONISTS FOR TREATMENT OF ALLERGIC AND NON-ALLERGIC PULMONARY INFLAMMATION, CONGESTION AND ALLERGIC RHINITIS | SCHERING CORPORATION (US) | 2004-08-12 | — | — | WO | disclosed |