Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | HTR6 | P50406 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 4/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.41 |
| ▸ | DRD1 | P21728 | 2/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | QDPR | P09417 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7866309 | 0.89 | SLC6A4 (0.47) | SLC6A4HTR6DRD2DRD4CHRM1 | |
| Oxalic Acid SCHEMBL7859566 | 0.83 | SLC6A4 (0.42) | SLC6A4HTR6DRD2DRD4CHRM1 | |
| Bromide SCHEMBL7859762 | 0.83 | SLC6A4 (0.46) | SLC6A4HTR6DRD2CHRM1DRD1 | |
| SCHEMBL11880744 | 0.82 | QDPR (0.43) | SLC6A4HTR6DRD2DRD4CHRM1 | |
| SCHEMBL7864862 | 0.78 | QDPR (0.39) | SLC6A4QDPR | |
| Bromide SCHEMBL7867557 | 0.74 | SLC6A4 (0.40) | SLC6A4HTR6QDPR | |
| Oxalic Acid SCHEMBL8818715 | 0.73 | SLC6A4 (0.35) | SLC6A4HTR6DRD2DRD4CHRM1 | |
| SCHEMBL7864911 | 0.72 | SIGMAR1 (0.51) | HTR6QDPR | |
| SCHEMBL10911505 | 0.72 | ESR1 (0.44) | — | |
| SCHEMBL6043136 | 0.71 | QDPR (0.68) | SLC6A4HTR6QDPR |
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-1077213-A2 | Inhibition of serotonin reuptake | ELI LILLY AND COMPANY (US) | 2001-02-21 | — | — | EP | disclosed |
| US-6046215-A | A PIPERIDINYLBENZOTHIOPHENES USEFUL FOR TRATING BRAIN DISORDERS | ELI LILLY AND COMPANY (US) | 2000-04-04 | — | — | US | disclosed |
| US-5846982-A | Inhibition of serotonin reuptake | ELI LILLY AND COMPANY (US) | 1998-12-08 | — | — | US | disclosed |
| EP-0812826-A1 | 1H-indole and benzo(b)thiophene derivatives with 4-(1,2,3,6-tetra:hydro:pyridinyl)- and 4-piperidinyl-groups bound to the heterocyclic ring as inhibitors of serotonin reuptake | ELI LILLY AND COMPANY (US) | 1997-12-17 | — | — | EP | disclosed |