Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.64 |
| ▸ | RAB9A | P51151 | 1/20 | 0.64 |
| ▸ | SLC6A2 | P23975 | 11/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 11/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 11/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | PDE4A | P27815 | 1/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.43 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11037531 | 0.82 | NPC1 (0.43) | NPC1RAB9ASLC6A2SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL11035959 | 0.81 | NPC1 (0.43) | NPC1RAB9ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL11005523 | 0.79 | NPC1 (0.44) | NPC1RAB9ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL29389716 | 0.78 | NPC1 (1.00) | NPC1RAB9ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL11040777 | 0.78 | NPC1 (1.00) | NPC1RAB9ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL11100256 | 0.77 | SLC6A2 (0.76) | SLC6A2SLC6A4SLC6A3CYP2D6CYP3A4 | |
| Bromide SCHEMBL11038376 | 0.77 | NPC1 (0.97) | NPC1RAB9ASLC6A2SLC6A4SLC6A3 | |
| Bromide SCHEMBL29634856 | 0.77 | NPC1 (0.97) | NPC1RAB9ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7891896 | 0.76 | MAPK1 (0.61) | PDE4APDE4BPDE4CPDE4DCYP3A4 | |
| SCHEMBL11005279 | 0.76 | NPC1 (0.63) | NPC1RAB9ASLC6A2SLC6A4SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0040955-B1 | 3,4-DIHYDROXYPHENYLTETRAHYDROTHIENOPYRIDINES | SMITHKLINE BECKMAN CORPORATION (US) | 1984-06-27 | — | — | EP | claimed |
| EP-0040955-B1 | 3,4-DIHYDROXYPHENYLTETRAHYDROTHIENOPYRIDINES | SMITHKLINE BECKMAN CORPORATION (US) | 1984-06-27 | — | — | EP | disclosed |
| EP-0040955-A2 | 3,4-Dihydroxyphenyltetrahydrothienopyridines | SMITHKLINE BECKMAN CORPORATION (US) | 1981-12-02 | — | — | EP | disclosed |
| US-4282227-A | Renal vasodilating 3,4-dihydroxyphenyltetrahydrothienopyridines | SMITHKLINE CORPORATION (US) | 1981-08-04 | — | — | US | disclosed |