Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 2/20 | 0.51 |
| ▸ | HTR1B | P28222 | 2/20 | 0.51 |
| ▸ | HTR6 | P50406 | 8/20 | 0.46 |
| ▸ | KHK | P50053 | 2/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 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 | |
|---|---|---|---|---|
| SCHEMBL6962346 | 0.89 | HTR1A (0.50) | HTR1AHTR1BHTR6KHKKCNH2 | |
| SCHEMBL6962241 | 0.81 | DRD2 (0.49) | HTR1AHTR1BHTR6KHKKCNH2 | |
| SCHEMBL9462735 | 0.80 | HTR6 (0.68) | HTR1AHTR6KHKKCNH2 | |
| SCHEMBL6954562 | 0.79 | DRD2 (0.56) | HTR1AHTR1BHTR6KHKKCNH2 | |
| SCHEMBL6966491 | 0.79 | HTR1A (0.69) | HTR1AHTR1BKCNH2DRD2 | |
| SCHEMBL6580736 | 0.76 | HTR6 (0.61) | HTR1AHTR6KCNH2DRD2 | |
| Hydrochloric Acid SCHEMBL27751697 | 0.76 | HTR6 (0.61) | HTR1AHTR6KCNH2DRD2 | |
| SCHEMBL9462566 | 0.75 | HTR6 (0.56) | HTR1AHTR6KCNH2 | |
| SCHEMBL6583508 | 0.75 | HTR6 (0.54) | HTR1AHTR6KHKKCNH2 | |
| SCHEMBL6955047 | 0.74 | DRD2 (0.52) | HTR1AHTR6KHKKCNH2DRD2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6602889-B1 | 5-heteroaryl substituted indoles | H. LUNDBECK A.S. (DK) | 2003-08-05 | — | — | US | disclosed |
| EP-1068198-B1 | 5-HETEROARYL SUBSTITUTED INDOLES | LUNDBECK & CO AS H (DK) | 2003-05-28 | — | — | EP | disclosed |