Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 7/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 7/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.43 |
| ▸ | AHR | P35869 | 3/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | F7 | P08709 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | F3 | P13726 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL7882959 | 0.85 | SLC6A2 (0.60) | CYP2D6SLC6A2SLC6A4SLC6A3USP2 | |
| SCHEMBL7001055 | 0.81 | SLC6A2 (0.49) | CYP2D6SLC6A2SLC6A4SLC6A3USP2 | |
| SCHEMBL30055150 | 0.74 | PRKAB2 (0.59) | AHR | |
| SCHEMBL29945431 | 0.72 | HRH3 (0.37) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1465074 | 0.72 | SLC6A2 (0.49) | CYP2D6SLC6A2SLC6A4SLC6A3USP2 | |
| SCHEMBL5361306 | 0.72 | SLC6A4 (0.57) | SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL27957976 | 0.71 | PRKAB2 (0.59) | CYP2D6SLC6A2SLC6A4SLC6A3HDAC1 | |
| SCHEMBL31748630 | 0.71 | PRKAB2 (0.59) | CYP2D6SLC6A2SLC6A4SLC6A3AHR | |
| SCHEMBL29773124 | 0.71 | SLC6A2 (0.48) | CYP2D6SLC6A2SLC6A4SLC6A3USP2 | |
| SCHEMBL5114241 | 0.71 | SLC6A2 (0.48) | CYP2D6SLC6A2SLC6A4SLC6A3USP2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6562809-B1 | Contraction of coronary arteries may be mediated by its stimulation of the 5-HT1B (formerly 5-HT1D beta); compounds selective for a 5-HT1D receptor | NPS ALLELIX CORP. (CA) | 2003-05-13 | — | — | US | disclosed |
| EP-1114049-B1 | 3-BICYCLOINDOLE COMPOUNDS AS 5-HT1D RECEPTOR LIGANDS | NPS ALLELIX CORP (CA) | 2003-03-19 | — | — | EP | disclosed |
| EP-1114049-A1 | 3-BICYCLOINDOLE COMPOUNDS AS 5-HT1D RECEPTOR LIGANDS | NPS Allelix Corp. (CA) | 2001-07-11 | — | — | EP | disclosed |
| WO-2000017198-A1 | 3-BICYCLOINDOLE COMPOUNDS AS 5-HT1D LIGANDS | ALLELIX BIOPHARMACEUTICALS INC. (CA) | 2000-03-30 | — | — | WO | disclosed |