Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11549587 | 0.89 | TACR1 (0.46) | SIGMAR1GRIN1GRIN2B | |
| Bromide SCHEMBL11478757 | 0.85 | SLC18A3 (0.43) | DRD2 | |
| Hydrochloric Acid SCHEMBL11542769 | 0.85 | SLC18A3 (0.43) | DRD2 | |
| Hydrochloric Acid SCHEMBL11541416 | 0.81 | DRD1 (0.56) | SIGMAR1DRD2 | |
| Hydrochloric Acid SCHEMBL11543140 | 0.78 | DRD1 (0.51) | DRD2 | |
| Iodide SCHEMBL5179692 | 0.70 | SIGMAR1 (0.44) | SIGMAR1SLC6A3GRIN1GRIN2BACHE | |
| SCHEMBL9466471 | 0.69 | ACHE (0.54) | SIGMAR1SLC6A3ACHE | |
| SCHEMBL486687 | 0.68 | SLC6A3 (0.66) | SIGMAR1SLC6A3ACHEDRD2 | |
| SCHEMBL8108965 | 0.68 | SLC6A3 (0.66) | SIGMAR1SLC6A3ACHEDRD2 | |
| SCHEMBL1400959 | 0.67 | TACR1 (0.61) | SIGMAR1GRIN1GRIN2BACHE |
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 |
|---|---|---|---|---|---|---|---|
| US-4172890-A | CARDIOVASCULAR, PARKINSON'S DISEASE, DOPAMINERGIC | SMITHKLINE CORPORATION (US) | 1979-10-30 | — | — | US | disclosed |
| US-4108989-A | TREATING PARKINSON*S DISEASE, CARDIOVASCULAR DISORDERS | SMITHKLINE CORPORATION (US) | 1978-08-22 | — | — | US | disclosed |