Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | HRH1 | P35367 | 2/20 | 0.35 |
| ▸ | TLR8 | Q9NR97 | 3/20 | 0.34 |
| ▸ | TLR7 | Q9NYK1 | 3/20 | 0.34 |
| ▸ | TLR9 | Q9NR96 | 2/20 | 0.34 |
| ▸ | WNT1 | P04628 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
| ▸ | CCR5 | P51681 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 4/20 | 0.33 |
| ▸ | SRPK1 | Q96SB4 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.31 |
| ▸ | JAK1 | P23458 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3070225 | 0.85 | CYP2D6 (0.41) | CYP2D6HRH1TLR8TLR7TLR9 | |
| SCHEMBL3076356 | 0.83 | HRH3 (0.42) | CYP2D6HRH1 | |
| SCHEMBL30438943 | 0.81 | CXCR4 (0.44) | ADORA2AADORA1ALOX15 | |
| SCHEMBL17284720 | 0.80 | LRRK2 (0.38) | CYP2D6HRH1TLR8TLR7TLR9 | |
| SCHEMBL6167565 | 0.80 | CXCR4 (0.43) | — | |
| SCHEMBL22878259 | 0.80 | LRRK2 (0.35) | CYP2D6HRH1TLR8TLR7TLR9 | |
| SCHEMBL17285987 | 0.80 | MC4R (0.42) | WNT1GSK3BDYRK1ALRRK2CCR5 | |
| Hydrochloric Acid SCHEMBL17271881 | 0.79 | CXCR4 (0.42) | — | |
| SCHEMBL15014476 | 0.77 | ALDH1A1 (0.49) | TLR8TLR7TLR9WNT1GSK3B | |
| SCHEMBL17282081 | 0.77 | LRRK2 (0.36) | CYP2D6HRH1TLR8TLR7TLR9 |
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 |