Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 19/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 18/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 10/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27873293 | 0.91 | CYP2D6 (0.38) | SLC6A4SLC6A2SLC6A3CYP2D6KCNH2 | |
| SCHEMBL15021681 | 0.90 | SLC6A4 (0.32) | SLC6A4SLC6A2SLC6A3CYP2D6CHRM3 | |
| SCHEMBL181909 | 0.82 | SLC6A4 (0.42) | SLC6A4SLC6A2SLC6A3CYP2D6KCNH2 | |
| SCHEMBL65492 | 0.82 | SLC6A4 (0.42) | SLC6A4SLC6A2SLC6A3CYP2D6KCNH2 | |
| SCHEMBL1033810 | 0.82 | SLC6A4 (0.42) | SLC6A4SLC6A2SLC6A3CYP2D6KCNH2 | |
| SCHEMBL4367475 | 0.81 | CHRM2 (0.34) | CHRM3 | |
| Hydrochloric Acid SCHEMBL25408690 | 0.81 | SLC6A4 (0.41) | SLC6A4SLC6A2SLC6A3CYP2D6KCNH2 | |
| SCHEMBL2707862 | 0.81 | SLC6A4 (0.40) | SLC6A4SLC6A2SLC6A3CYP2D6KCNH2 | |
| SCHEMBL1863662 | 0.81 | SLC6A4 (0.40) | SLC6A4SLC6A2SLC6A3CYP2D6KCNH2 | |
| Ammonia Solution, Strong SCHEMBL19410295 | 0.81 | SLC6A4 (0.41) | SLC6A4SLC6A2SLC6A3CYP2D6KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101360499-B | The purposes of pyrazolo [1,5-A] pyrimidine derivatives in the kinase whose medicine of preparation Profilin | MERCK SHARP & DOHME CORP. (US) | 2015-10-07 | — | — | CN | disclosed |