Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 18/20 | 0.43 |
| ▸ | DRD2 | P14416 | 4/20 | 0.41 |
| ▸ | HTR1A | P08908 | 3/20 | 0.41 |
| ▸ | HTR2A | P28223 | 3/20 | 0.41 |
| ▸ | HTR7 | P34969 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | DRD3 | P35462 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | HTR1B | P28222 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2224973 | 0.87 | JAK1 (0.39) | HTR6DRD2HTR1AHTR2AHTR7 | |
| SCHEMBL2282730 | 0.87 | HTR6 (0.40) | HTR6DRD2HTR1AHTR2AHTR7 | |
| SCHEMBL2273326 | 0.82 | HTR6 (0.42) | HTR6DRD2HTR1AHTR2AHTR7 | |
| SCHEMBL2226408 | 0.81 | HTR6 (0.42) | HTR6OPRK1 | |
| SCHEMBL2274745 | 0.80 | JAK2 (0.53) | HTR6DRD2HTR1AHTR2AHTR7 | |
| SCHEMBL2276750 | 0.75 | JAK2 (0.55) | HTR6DRD2HTR1AHTR2AHTR7 | |
| SCHEMBL2276752 | 0.75 | JAK2 (0.55) | HTR6DRD2HTR1AHTR2AHTR7 | |
| SCHEMBL2365115 | 0.75 | HTT (0.41) | HTR6CYP2C19 | |
| SCHEMBL2279203 | 0.74 | JAK1 (0.36) | HTR6CYP2C19CYP3A4CYP1A2OPRK1 | |
| SCHEMBL2276970 | 0.74 | JAK1 (0.50) | HTR6CYP2C19CYP3A4CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2523957-A1 | TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF | F. Hoffmann-La Roche AG (CH) | 2012-11-21 | — | — | EP | disclosed |
| WO-2011086053-A1 | TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2011-07-21 | — | — | WO | disclosed |