Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D | P28221 | 7/20 | 0.57 |
| ▸ | HTR1B | P28222 | 7/20 | 0.57 |
| ▸ | HTR1A | P08908 | 6/20 | 0.57 |
| ▸ | HTR2C | P28335 | 5/20 | 0.57 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.57 |
| ▸ | HTR2A | P28223 | 1/20 | 0.57 |
| ▸ | HRH1 | P35367 | 1/20 | 0.57 |
| ▸ | HTR2B | P41595 | 1/20 | 0.57 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8814150 | 0.81 | HTR1A (0.72) | HTR1DHTR1BHTR1AHTR2CADRA2C | |
| SCHEMBL8411455 | 0.79 | HTR1D (0.57) | HTR1DHTR1BHTR1AHTR2CADRA2C | |
| SCHEMBL27371806 | 0.76 | HTR1D (0.65) | HTR1DHTR1BHTR1AHTR2CADRA2C | |
| SCHEMBL8883581 | 0.76 | HTR1D (0.56) | HTR1DHTR1BHTR1AHTR2CADRA2C | |
| SCHEMBL6943909 | 0.74 | HTR1A (0.79) | HTR1DHTR1BHTR1AHTR2CADRA2C | |
| Rizatriptan SCHEMBL17595839 | 0.73 | HTR1A (0.77) | HTR1DHTR1BHTR1AHTR2CADRA2C | |
| SCHEMBL24026446 | 0.72 | HTR1A (0.72) | HTR1DHTR1BHTR1AHTR2CADRA2C | |
| Rizatriptan SCHEMBL12802834 | 0.72 | HTR1A (1.00) | HTR1DHTR1BHTR1AHTR2CADRA2C | |
| Rizatriptan SCHEMBL26662 | 0.72 | HTR1A (1.00) | HTR1DHTR1BHTR1AHTR2CADRA2C | |
| Rizatriptan SCHEMBL29407208 | 0.72 | HTR1A (1.00) | HTR1DHTR1BHTR1AHTR2CADRA2C |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0778275-A1 | Process for the preparation of imidazole, triazole and tetrazole derivatives and their use as selective 5-HT-1 receptor agonists | MERCK SHARP & DOHME LTD. (GB) | 1997-06-11 | — | — | EP | disclosed |