Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 20/20 | 0.51 |
| ▸ | SLC6A4 | P31645 | 20/20 | 0.51 |
| ▸ | SLC6A3 | Q01959 | 19/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 14/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 14/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 10/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL6770174 | 0.83 | SLC6A4 (0.47) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL6770906 | 0.83 | SLC6A4 (0.53) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL6770089 | 0.83 | SLC6A2 (0.44) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL6769283 | 0.82 | SLC6A2 (0.51) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL4872153 | 0.81 | SLC6A2 (0.52) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL758733 | 0.81 | SLC6A2 (0.52) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL4191873 | 0.81 | SLC6A4 (0.54) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL8369503 | 0.80 | SLC6A2 (0.51) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL7313213 | 0.79 | SLC6A2 (0.50) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL6769734 | 0.79 | TACR2 (0.55) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6821973-B2 | ANTAGONIZE THE PHARMACOLOGICAL ACTIONS OF THE ENDOGENOUS NEUROPEPTIDE TACHYKININS KNOWN AS NEUROKININS | ASTRAZENECA AB (SE) | 2004-11-23 | — | — | US | claimed |