Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D | P28221 | 2/20 | 0.38 |
| ▸ | TLR9 | Q9NR96 | 13/20 | 0.36 |
| ▸ | TLR8 | Q9NR97 | 13/20 | 0.36 |
| ▸ | TLR7 | Q9NYK1 | 13/20 | 0.36 |
| ▸ | PRKAB2 | O43741 | 2/20 | 0.34 |
| ▸ | PRKAG1 | P54619 | 2/20 | 0.34 |
| ▸ | PRKAA2 | P54646 | 2/20 | 0.34 |
| ▸ | PRKAA1 | Q13131 | 2/20 | 0.34 |
| ▸ | PRKAG3 | Q9UGI9 | 2/20 | 0.34 |
| ▸ | PRKAG2 | Q9UGJ0 | 2/20 | 0.34 |
| ▸ | PRKAB1 | Q9Y478 | 2/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | SOS1 | Q07889 | 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 | |
|---|---|---|---|---|
| SCHEMBL6962926 | 0.90 | HTR1D (0.47) | HTR1DTLR9TLR8TLR7SLC6A2 | |
| SCHEMBL6974690 | 0.89 | TLR9 (0.41) | HTR1DTLR9TLR8TLR7 | |
| SCHEMBL6976838 | 0.83 | PRKAG1 (0.38) | HTR1DPRKAB2PRKAG1PRKAA2PRKAA1 | |
| SCHEMBL25340081 | 0.82 | TLR9 (0.43) | HTR1DTLR9TLR8TLR7PRKAB2 | |
| SCHEMBL6960603 | 0.82 | HTR1D (0.36) | HTR1DTLR9TLR8TLR7SLC6A2 | |
| SCHEMBL8507358 | 0.81 | HTR1D (0.45) | HTR1DSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6971259 | 0.81 | SLC6A2 (0.32) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8208352 | 0.80 | HTR1D (0.40) | HTR1DSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6970050 | 0.80 | SLC6A2 (0.32) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6975409 | 0.79 | SLC6A2 (0.32) | HTR1DSLC6A2SLC6A4SLC6A3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0944595-B1 | 5-CYCLO INDOLE COMPOUNDS AS 5-HT1D RECEPTOR LIGANDS | NPS ALLELIX CORP (CA) | 2003-10-01 | — | — | EP | claimed |
| US-5998438-A | SEROTONIN RECEPTOR ANTAGONIST; HEADACHE THERAPY | ALLELIX BIOPHARMACEUTICALS, INC. (CA) | 1999-12-07 | — | — | US | claimed |
| EP-0944595-B1 | 5-CYCLO INDOLE COMPOUNDS AS 5-HT1D RECEPTOR LIGANDS | NPS ALLELIX CORP (CA) | 2003-10-01 | — | — | EP | disclosed |
| US-5998438-A | SEROTONIN RECEPTOR ANTAGONIST; HEADACHE THERAPY | ALLELIX BIOPHARMACEUTICALS, INC. (CA) | 1999-12-07 | — | — | US | disclosed |