Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 18/20 | 0.57 |
| ▸ | SLC6A4 | P31645 | 18/20 | 0.57 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11618006 | 0.84 | SLC6A2 (0.49) | SLC6A2SLC6A4SLC6A3CYP2D6ALDH1A1 | |
| Hydrochloric Acid SCHEMBL11617101 | 0.83 | LMNA (0.50) | SLC6A2SLC6A4SLC6A3CYP2D6ALDH1A1 | |
| SCHEMBL11618978 | 0.80 | SLC6A2 (0.43) | SLC6A2SLC6A4SLC6A3CYP1A2CYP2D6 | |
| SCHEMBL11618901 | 0.80 | SLC6A2 (0.51) | SLC6A2SLC6A4SLC6A3CYP1A2CYP2D6 | |
| SCHEMBL11618846 | 0.78 | SLC6A2 (0.42) | SLC6A2SLC6A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11620856 | 0.77 | ACHE (0.43) | SLC6A2SLC6A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11625501 | 0.74 | SLC6A4 (0.43) | SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL5996795 | 0.73 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL9861905 | 0.71 | GABRA1 (0.45) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL11649382 | 0.70 | CYP2D6 (0.55) | SLC6A2SLC6A4CYP1A2CYP2D6CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-4101671-A | ANTIULCEROGENICS | BOEHRINGER INGELHEIM GMBH (DE) | 1978-07-18 | — | — | US | disclosed |
| US-RE29628-E | ANTIULCER, SECRETOLYTICS, ANTITUSSIVE | BOEHRINGER INGELHEIM GMBH (DT) | 1978-05-09 | — | — | US | disclosed |
| US-3950393-A | ANTIULCER, ANTISECRETORY, ANTITUSSIVE AGENTS | BOEHRINGER INGELHEIM GMBH (DT) | 1976-04-13 | — | — | US | disclosed |