Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | GSK3A | P49840 | 2/20 | 0.32 |
| ▸ | GSK3B | P49841 | 2/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6594664 | 0.99 | CYP2A6 (0.33) | CYP2A6SLC6A2SLC6A4SLC6A3GSK3A | |
| Hydrochloric Acid SCHEMBL15379330 | 0.71 | HTR2C (0.47) | — | |
| SCHEMBL7482242 | 0.71 | HTR2C (0.47) | — | |
| Hydrochloric Acid SCHEMBL6594852 | 0.69 | GSK3A (0.33) | CYP2A6GSK3AGSK3BPIM1 | |
| SCHEMBL6594711 | 0.69 | ACHE (0.35) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4614750 | 0.66 | SIGMAR1 (0.41) | CHRM1 | |
| SCHEMBL27517016 | 0.65 | CYP2A6 (0.48) | CYP2A6SLC6A2SLC6A4SLC6A3GSK3A | |
| SCHEMBL7034316 | 0.65 | CYP2A6 (0.36) | CYP2A6SLC6A2SLC6A4SLC6A3GSK3A | |
| SCHEMBL22728595 | 0.64 | GSK3A (0.33) | CYP2A6GSK3AGSK3B | |
| Hydrochloric Acid SCHEMBL29489685 | 0.63 | GSK3A (0.33) | CYP2A6GSK3AGSK3B |
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-1204660-B1 | SEROTONERGIC BENZOTHIOPHENES | LILLY CO ELI (US) | 2004-10-20 | — | — | EP | disclosed |
| EP-1204660-A1 | SEROTONERGIC BENZOTHIOPHENES | ELI LILLY AND COMPANY (US) | 2002-05-15 | — | — | EP | disclosed |
| WO-2001009126-A1 | SEROTONERGIC BENZOTHIOPHENES | ELI LILLY AND COMPANY (US) | 2001-02-08 | — | — | WO | disclosed |