Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 9/20 | 0.39 |
| ▸ | HRH1 | P35367 | 2/20 | 0.38 |
| ▸ | NAAA | Q02083 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | DRD4 | P21917 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL9466840 | 0.99 | SIGMAR1 (0.40) | SIGMAR1HRH1TDP1L3MBTL1HRH3 | |
| SCHEMBL9473855 | 0.95 | SIGMAR1 (0.36) | SIGMAR1HRH1TDP1L3MBTL1HRH3 | |
| SCHEMBL9467088 | 0.86 | HRH1 (0.40) | HRH1TDP1L3MBTL1HRH3 | |
| SCHEMBL9466779 | 0.79 | HTR2A (0.33) | SIGMAR1HRH1DRD4SLC6A4CYP1A2 | |
| SCHEMBL11828755 | 0.73 | — | — | |
| SCHEMBL9826487 | 0.72 | KCNA3 (0.44) | TDP1HRH3 | |
| SCHEMBL8906856 | 0.69 | DRD2 (0.46) | DRD4CYP1A2CYP3A4 | |
| SCHEMBL3139780 | 0.68 | TDP1 (0.53) | TDP1DRD4CYP1A2CYP3A4 | |
| Iodide SCHEMBL28071342 | 0.67 | CYP3A4 (0.35) | TDP1CYP3A4 | |
| Bromide SCHEMBL29288531 | 0.65 | — | — |
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-5118691-A | Substituted tetrahydropyridines as central nervous system agents | WARNER-LAMBERT CO. (US) | 1992-06-02 | — | — | US | disclosed |
| US-5045550-A | Antipsychotic, hypotensive agents, dopaminergic | WARNER-LAMBERT CO. (US) | 1991-09-03 | — | — | US | disclosed |