Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | QDPR | P09417 | 3/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.43 |
| ▸ | HTR1D | P28221 | 1/20 | 0.41 |
| ▸ | HTR1B | P28222 | 1/20 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL7868021 | 0.84 | SLC6A4 (0.52) | QDPRSLC6A4 | |
| SCHEMBL155267 | 0.80 | QDPR (0.68) | QDPRSLC6A4 | |
| Bromide SCHEMBL7859752 | 0.77 | SLC6A4 (0.56) | SLC6A4 | |
| SCHEMBL28421403 | 0.77 | QDPR (0.49) | QDPRHTR1DHTR1B | |
| SCHEMBL7866268 | 0.75 | SLC6A4 (0.44) | QDPRSLC6A4 | |
| SCHEMBL6739833 | 0.75 | QDPR (0.56) | QDPRSLC6A4HTR1DHTR1B | |
| SCHEMBL6742178 | 0.75 | QDPR (0.47) | QDPRSLC6A4NTRK1 | |
| SCHEMBL7499403 | 0.73 | QDPR (0.48) | QDPRHTR1DHTR1B | |
| SCHEMBL695341 | 0.72 | ITK (0.56) | — | |
| SCHEMBL7202439 | 0.72 | HTR6 (0.51) | QDPRSLC6A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1196380-A2 | INDOLES AND INDAZOLES FOR THE TREATMENT OF MIGRAINE | NPS Allelix Corp. (CA) | 2002-04-17 | — | — | EP | disclosed |
| WO-2001005758-A2 | INDOLES AND INDAZOLES FOR THE TREATMENT OF MIGRAINE | NPS ALLELIX CORP. (CA) | 2001-01-25 | — | — | WO | disclosed |