Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 12/20 | 0.41 |
| ▸ | HTR2A | P28223 | 9/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 7/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.33 |
| ▸ | TSPO | P30536 | 3/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14436458 | 0.86 | SLC6A4 (0.38) | SLC6A4HTR2AKCNH2SLC6A2SLC6A3 | |
| SCHEMBL16004762 | 0.73 | SLC6A4 (0.37) | SLC6A4HTR2AKCNH2SLC6A2SLC6A3 | |
| SCHEMBL5836497 | 0.72 | HTR2A (0.68) | SLC6A4HTR2AKCNH2SLC6A2SLC6A3 | |
| SCHEMBL16004751 | 0.70 | HTR2A (0.37) | SLC6A4HTR2AKCNH2SCN9A | |
| SCHEMBL13274176 | 0.68 | SCN9A (0.43) | KCNH2SCN9A | |
| SCHEMBL378875 | 0.68 | MAP4K4 (0.53) | SLC6A4HTR2AKCNH2 | |
| SCHEMBL5017658 | 0.67 | HDAC1 (0.47) | — | |
| Hydrochloric Acid SCHEMBL3775833 | 0.67 | MAP4K4 (0.52) | SLC6A4HTR2AKCNH2 | |
| SCHEMBL5225550 | 0.66 | SHMT2 (0.44) | — | |
| SCHEMBL27496884 | 0.66 | SLC6A4 (0.44) | SLC6A4HTR2AKCNH2SLC6A2SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2961744-B1 | INTERMEDIATES FOR USE IN THE PREPARATION OF INDAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF | ARRAY BIOPHARMA INC (US) | 2017-06-28 | — | — | EP | disclosed |