Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 15/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 10/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 8/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | TACR1 | P25103 | 10/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9026665 | 0.90 | SLC6A4 (0.63) | SLC6A4SLC6A2SLC6A3CYP2D6TACR1 | |
| SCHEMBL9027923 | 0.87 | SLC6A4 (0.53) | SLC6A4SLC6A2SLC6A3CYP2D6TACR1 | |
| SCHEMBL8885644 | 0.87 | SLC6A2 (0.52) | SLC6A4SLC6A2SLC6A3CYP2D6TACR1 | |
| SCHEMBL9028244 | 0.86 | SLC6A4 (0.64) | SLC6A4SLC6A2SLC6A3CYP2D6TACR1 | |
| SCHEMBL9026651 | 0.80 | SLC6A4 (0.53) | SLC6A4SLC6A2SLC6A3CYP2D6TACR1 | |
| SCHEMBL9027457 | 0.77 | SLC6A4 (0.53) | SLC6A4SLC6A2SLC6A3CYP2D6TACR1 | |
| SCHEMBL9027256 | 0.77 | SLC6A4 (0.80) | SLC6A4SLC6A2SLC6A3CYP2D6 | |
| SCHEMBL9028807 | 0.77 | SLC6A4 (0.67) | SLC6A4SLC6A2SLC6A3CYP2D6TACR1 | |
| SCHEMBL9027209 | 0.75 | SLC6A4 (0.50) | SLC6A4SLC6A2SLC6A3CYP2D6TACR1 | |
| SCHEMBL9027710 | 0.74 | CASP1 (0.52) | SLC6A4SLC6A2SLC6A3CYP2D6 |
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-5563133-A | NERVOUS SYSTEM DISORDERS | ELI LILLY AND COMPANY (US) | 1996-10-08 | — | — | US | disclosed |
| EP-0714891-A1 | Heterocyclic tachykinin receptor antagonists | ELI LILLY AND COMPANY (US) | 1996-06-05 | — | — | EP | disclosed |