Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 9/20 | 0.44 |
| ▸ | DRD1 | P21728 | 5/20 | 0.38 |
| ▸ | DRD5 | P21918 | 2/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.38 |
| ▸ | MTOR | P42345 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | THPO | P40225 | 2/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11089320 | 0.88 | DRD2 (0.38) | DRD2DRD1DRD5DRD4DRD3 | |
| SCHEMBL11283177 | 0.80 | DRD2 (0.56) | DRD2DRD1DRD5DRD4DRD3 | |
| Hydrochloric Acid SCHEMBL11253560 | 0.77 | KDM2B (0.38) | DRD2HRH3SLC6A4 | |
| SCHEMBL14510982 | 0.73 | DRD1 (0.58) | DRD2DRD1DRD5MTORCYP1A2 | |
| SCHEMBL11010302 | 0.71 | DRD1 (0.48) | DRD2DRD1DRD5MTORCYP2D6 | |
| Bromide SCHEMBL11094035 | 0.70 | DRD2 (0.78) | DRD2DRD1DRD5DRD4DRD3 | |
| SCHEMBL11294171 | 0.70 | DRD1 (0.43) | DRD2DRD1DRD5DRD3SLC6A4 | |
| Bromide SCHEMBL11092997 | 0.69 | DRD2 (0.42) | DRD2DRD1DRD5DRD4DRD3 | |
| Hydrochloric Acid SCHEMBL11247875 | 0.69 | DRD1 (0.42) | DRD2DRD1DRD5DRD3SLC6A4 | |
| SCHEMBL11229680 | 0.69 | DRD1 (0.39) | DRD2DRD1DRD5DRD4DRD3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0043729-B1 | NEW DOPAMINERGIC ISOQUINOLINES | SMITHKLINE BECKMAN CORPORATION (US) | 1984-02-01 | — | — | EP | disclosed |
| US-4340601-A | VASODILATION | SMITHKLINE CORPORATION (US) | 1982-07-20 | — | — | US | disclosed |
| EP-0043729-A1 | New dopaminergic isoquinolines | SMITHKLINE BECKMAN CORPORATION (US) | 1982-01-13 | — | — | EP | disclosed |