Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | QDPR | P09417 | 3/20 | 0.48 |
| ▸ | HTR1D | P28221 | 1/20 | 0.43 |
| ▸ | HTR1B | P28222 | 1/20 | 0.43 |
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28421403 | 0.76 | QDPR (0.49) | QDPRHTR1DHTR1B | |
| SCHEMBL7501974 | 0.73 | QDPR (0.48) | QDPRHTR1DHTR1B | |
| SCHEMBL6739833 | 0.72 | QDPR (0.56) | QDPRHTR1DHTR1B | |
| SCHEMBL9051846 | 0.71 | AR (0.49) | ROCK2 | |
| SCHEMBL6741293 | 0.71 | QDPR (0.49) | QDPRHTR1DHTR1B | |
| SCHEMBL28422171 | 0.69 | QDPR (0.55) | QDPRHTR1DHTR1B | |
| SCHEMBL31342570 | 0.68 | ROCK2 (0.35) | HRH4ROCK2CDK2 | |
| SCHEMBL22152424 | 0.68 | HRH4 (0.55) | HRH4 | |
| SCHEMBL7744453 | 0.66 | QDPR (1.00) | QDPRHTR1DHTR1B | |
| SCHEMBL14845694 | 0.66 | PIN1 (0.68) | HRH4 |
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 |