Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 11/20 | 0.61 |
| ▸ | HTR7 | P34969 | 5/20 | 0.61 |
| ▸ | HTR1A | P08908 | 3/20 | 0.61 |
| ▸ | HTR1D | P28221 | 3/20 | 0.61 |
| ▸ | HTR1B | P28222 | 3/20 | 0.61 |
| ▸ | HTR1F | P30939 | 3/20 | 0.61 |
| ▸ | DRD2 | P14416 | 2/20 | 0.37 |
| ▸ | DRD3 | P35462 | 2/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | HTR1E | P28566 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.33 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6976183 | 0.85 | HTR6 (0.41) | HTR6HTR7HTR1AHTR1DHTR1B | |
| SCHEMBL6976881 | 0.83 | HTR6 (0.62) | HTR6HTR7HTR1AHTR1DHTR1B | |
| SCHEMBL6968081 | 0.81 | HTR6 (0.43) | HTR6HTR7HTR1AHTR1DHTR1B | |
| SCHEMBL6968072 | 0.81 | HTR6 (0.43) | HTR6HTR7HTR1AHTR1DHTR1B | |
| SCHEMBL6968579 | 0.81 | HTR6 (0.43) | HTR6HTR7HTR1AHTR1DHTR1B | |
| SCHEMBL6970659 | 0.80 | HTR6 (0.61) | HTR6HTR7HTR1AHTR1DHTR1B | |
| SCHEMBL8508379 | 0.77 | HTR6 (0.61) | HTR6HTR7HTR1AHTR1DHTR1B | |
| SCHEMBL7443507 | 0.76 | HTR6 (1.00) | HTR6HTR7HTR1AHTR1DHTR1B | |
| SCHEMBL6965218 | 0.76 | HTR6 (0.36) | HTR6HTR7HTR1AHTR1DHTR1B | |
| Acetic Acid SCHEMBL8508236 | 0.76 | HTR6 (0.59) | HTR6HTR7HTR1AHTR1DHTR1B |
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 |