Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D | P28221 | 13/20 | 0.71 |
| ▸ | HTR1B | P28222 | 13/20 | 0.71 |
| ▸ | HTR1A | P08908 | 2/20 | 0.71 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | THPO | P40225 | 1/20 | 0.55 |
| ▸ | HTR1F | P30939 | 2/20 | 0.53 |
| ▸ | APP | P05067 | 1/20 | 0.53 |
| ▸ | HTR6 | P50406 | 3/20 | 0.51 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9773080 | 0.99 | HTR1D (0.70) | HTR1DHTR1BHTR1ACYP1A2CYP3A4 | |
| SCHEMBL9527477 | 0.86 | HTR1D (0.78) | HTR1DHTR1BHTR1ACYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL9874795 | 0.85 | HTR1D (0.77) | HTR1DHTR1BHTR1ACYP1A2CYP3A4 | |
| SCHEMBL9874164 | 0.83 | HTR1D (0.68) | HTR1DHTR1BHTR1ACYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL9265610 | 0.83 | HTR1D (0.59) | HTR1DHTR1BHTR1ACYP1A2CYP3A4 | |
| Naratriptan SCHEMBL68753 | 0.83 | HTR1D (1.00) | HTR1DHTR1BHTR1ACYP1A2CYP3A4 | |
| Naratriptan SCHEMBL29403931 | 0.83 | HTR1D (1.00) | HTR1DHTR1BHTR1ACYP1A2CYP3A4 | |
| SCHEMBL23394791 | 0.83 | HTR1D (0.77) | HTR1DHTR1BHTR1ACYP1A2CYP3A4 | |
| SCHEMBL3222849 | 0.83 | HTR1D (0.77) | HTR1DHTR1BHTR1ACYP1A2CYP3A4 | |
| SCHEMBL4541547 | 0.83 | HTR1D (0.77) | HTR1DHTR1BHTR1ACYP1A2CYP3A4 |
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-5036078-A | And of chronic paroxysmal hemicrania | GLAXO GROUP LIMITED (GB) | 1991-07-30 | — | — | US | claimed |
| EP-0354777-B1 | 3-(4-PIPERIDINE)-5-(2-SULFONYLAMINOETHYL) INDOLE DERIVATIVES | GLAXO GROUP LIMITED (GB) | 1993-08-04 | — | — | EP | disclosed |
| US-5036078-A | And of chronic paroxysmal hemicrania | GLAXO GROUP LIMITED (GB) | 1991-07-30 | — | — | US | disclosed |
| EP-0354777-A2 | 3-(4-Piperidine)-5-(2-sulfonylaminoethyl) indole derivatives | GLAXO GROUP LIMITED (GB) | 1990-02-14 | — | — | EP | disclosed |