Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | MAOA | P21397 | 3/20 | 0.55 |
| ▸ | MAOB | P27338 | 2/20 | 0.54 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.54 |
| ▸ | KCNN2 | Q9H2S1 | 4/20 | 0.51 |
| ▸ | KCNN3 | Q9UGI6 | 4/20 | 0.51 |
| ▸ | BRD4 | O60885 | 2/20 | 0.51 |
| ▸ | KCNN1 | Q92952 | 2/20 | 0.51 |
| ▸ | DRD1 | P21728 | 3/20 | 0.50 |
| ▸ | DRD5 | P21918 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | RAD52 | P43351 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL10955829 | 0.85 | MAOA (0.50) | CYP3A4CYP2D6MAOAMAOBSLC6A4 | |
| SCHEMBL17993845 | 0.79 | SIGMAR1 (0.56) | SLC6A4DRD1DRD5 | |
| SCHEMBL11169272 | 0.77 | MAOA (0.84) | CYP3A4MAOAMAOBSLC6A4DRD1 | |
| SCHEMBL1744686 | 0.76 | MAOA (0.50) | CYP3A4MAOASMN1; SMN2RAD52 | |
| SCHEMBL21877880 | 0.76 | RAD52 (0.61) | CYP3A4CYP2D6MAOADRD1RAD52 | |
| Trepipam SCHEMBL11704977 | 0.76 | CYP2D6 (1.00) | CYP3A4CYP2D6DRD1DRD5SMN1; SMN2 | |
| Trepipam SCHEMBL29374758 | 0.76 | CYP2D6 (1.00) | CYP3A4CYP2D6DRD1DRD5SMN1; SMN2 | |
| SCHEMBL9797273 | 0.76 | CYP3A4 (0.57) | CYP3A4CYP2D6MAOAMAOBSLC6A4 | |
| Hydrochloric Acid SCHEMBL11158000 | 0.75 | MAOA (0.81) | CYP3A4MAOAMAOBSLC6A4KCNN2 | |
| SCHEMBL18256785 | 0.75 | SLC6A4 (0.40) | CYP3A4CYP2D6MAOAMAOBSLC6A4 |
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-4187314-A | DOPAMINERGIC ACTIVITY | SMITHKLINE CORPORATION (US) | 1980-02-05 | — | — | US | disclosed |
| US-4111957-A | DOPAMINERGIC | SMITHKLINE CORPORATION (US) | 1978-09-05 | — | — | US | disclosed |