Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 5/20 | 0.39 |
| ▸ | DRD2 | P14416 | 2/20 | 0.39 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.33 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.33 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.31 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.31 |
| ▸ | ATP1A1 | P05023 | 1/20 | 0.30 |
| ▸ | ATP1B1 | P05026 | 1/20 | 0.30 |
| ▸ | ATP1A3 | P13637 | 1/20 | 0.30 |
| ▸ | ATP1B2 | P14415 | 1/20 | 0.30 |
| ▸ | ATP1A2 | P50993 | 1/20 | 0.30 |
| ▸ | ATP1B3 | P54709 | 1/20 | 0.30 |
| ▸ | FXYD2 | P54710 | 1/20 | 0.30 |
| ▸ | ATP1A4 | Q13733 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9154678 | 0.88 | DRD3 (0.33) | DRD3 | |
| SCHEMBL9303355 | 0.88 | DRD3 (0.33) | DRD3 | |
| SCHEMBL9302359 | 0.83 | HTR2C (0.38) | DRD3DRD2 | |
| SCHEMBL9157144 | 0.80 | CHRNB4 (0.46) | CHRNB4CHRNA3DRD3DRD2SLC5A1 | |
| SCHEMBL9157877 | 0.74 | DRD3 (0.32) | DRD3DRD2 | |
| SCHEMBL9159596 | 0.74 | DRD3 (0.32) | DRD3DRD2SLC5A1SLC5A2 | |
| SCHEMBL9265496 | 0.74 | — | — | |
| SCHEMBL5179032 | 0.74 | CHRNB4 (0.44) | CHRNB4CHRNA3DRD3DRD2 | |
| SCHEMBL3767767 | 0.70 | CHRNB4 (0.40) | CHRNB4CHRNA3DRD3DRD2 | |
| SCHEMBL6024905 | 0.69 | DRD3 (0.50) | CHRNB4CHRNA3DRD3DRD2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5424320-A | Antihistamine, antiallergic, antiinflammatory and cytoprotective agents | MERCK FROSST CANADA, INC. (CA) | 1995-06-13 | — | — | US | disclosed |
| US-5410054-A | Heteroaryl quinolines as inhibitors of leukotriene biosynthesis | MERCK FROSST CANADA, INC. (CA) | 1995-04-25 | — | — | US | disclosed |
| WO-1995003300-A1 | HETEROARYL QUINOLINES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS | MERCK FROSST CANADA INC. (CA) | 1995-02-02 | — | — | WO | disclosed |
| US-5360815-A | Heteroaryl cinnamic acids as inhibitors of leukotriene biosynthesis | MERCK FROSST CANADA, INC. (CA) | 1994-11-01 | — | — | US | disclosed |