Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 8/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 8/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | FASN | P49327 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | AHR | P35869 | 3/20 | 0.38 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6744625 | 0.90 | AHR (0.42) | SLC6A2SLC6A4SLC6A3CYP2D6AHR | |
| SCHEMBL7003023 | 0.81 | CYP2D6 (0.50) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL7882959 | 0.80 | SLC6A2 (0.60) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL10028305 | 0.75 | OPRL1 (0.46) | — | |
| SCHEMBL4308889 | 0.71 | SLC6A2 (0.46) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL383232 | 0.71 | OPRD1 (0.40) | KCNH2CYP1A2 | |
| SCHEMBL982082 | 0.71 | SLC6A2 (0.63) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL16838117 | 0.70 | SLC6A3 (0.46) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL12853726 | 0.70 | OPRD1 (0.38) | CYP1A2 | |
| SCHEMBL3455621 | 0.70 | KDM4E (0.59) | FASNMAPTMAPK14CNR1CNR2 |
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 |