Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D | P28221 | 18/20 | 0.49 |
| ▸ | HTR1B | P28222 | 18/20 | 0.49 |
| ▸ | HTR1A | P08908 | 16/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5367054 | 0.84 | HTR1D (0.71) | HTR1DHTR1BHTR1ACYP2C9CYP1A2 | |
| SCHEMBL5361811 | 0.83 | HTR1D (0.57) | HTR1DHTR1BHTR1ACYP2C9CYP1A2 | |
| SCHEMBL5369049 | 0.80 | HTR1D (0.51) | HTR1DHTR1BHTR1ACYP2C9CYP1A2 | |
| SCHEMBL5780146 | 0.79 | HTR1D (0.47) | HTR1DHTR1BHTR1ACYP2C9CYP1A2 | |
| SCHEMBL5364330 | 0.77 | HTR1D (0.57) | HTR1DHTR1BHTR1ACYP2C9CYP1A2 | |
| SCHEMBL5364221 | 0.73 | HTR1A (0.72) | HTR1DHTR1BHTR1ADRD3 | |
| SCHEMBL5369043 | 0.71 | FAAH (0.50) | CYP2D6 | |
| SCHEMBL5361819 | 0.71 | PDE3B (0.47) | CYP2D6 | |
| SCHEMBL13185173 | 0.67 | PDE3B (0.51) | CYP2C9 | |
| SCHEMBL5371636 | 0.66 | PDE3B (0.53) | CYP2C9 |
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-1476444-B1 | HETEROCYCLIC COMPOUNDS POSSESSING AFFINITY AT 5HT1-TYPE RECEPTORS AND USE THEREOF IN THERAPY | GLAXO GROUP LTD (GB) | 2006-04-12 | — | — | EP | claimed |