Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | DHFR | P00374 | 1/20 | 0.37 |
| ▸ | SYK | P43405 | 3/20 | 0.35 |
| ▸ | DHODH | Q02127 | 2/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.34 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL186635 | 0.80 | LRRK2 (0.42) | LRRK2NPC1RAB9ADHFREGFR | |
| SCHEMBL185967 | 0.78 | LRRK2 (0.41) | LRRK2NPC1RAB9ADHFRDHODH | |
| SCHEMBL3715325 | 0.77 | LRRK2 (0.53) | LRRK2NPC1RAB9ADHODHEGFR | |
| SCHEMBL2808514 | 0.74 | LRRK2 (0.39) | LRRK2DHODHMAOB | |
| SCHEMBL31263735 | 0.74 | GAA (0.54) | LRRK2NPC1RAB9AMAOBMAPT | |
| Trifluoroacetic Acid SCHEMBL185180 | 0.72 | LRRK2 (0.37) | LRRK2NPC1RAB9ADHODHMAOB | |
| SCHEMBL2809625 | 0.71 | LRRK2 (0.36) | LRRK2DHODHMAOBHTR2AHTR2C | |
| SCHEMBL20552318 | 0.70 | LRRK2 (0.50) | LRRK2NPC1RAB9ADHODHEGFR | |
| SCHEMBL690500 | 0.69 | LRRK2 (0.40) | LRRK2NPC1RAB9AEGFRERBB2 | |
| SCHEMBL27853555 | 0.69 | LRRK2 (0.46) | LRRK2NPC1RAB9ADHODHMAOB |
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-2401256-A1 | COMPOUNDS AS BRADYKININ B1 ANTAGONISTS | Boehringer Ingelheim International GmbH (DE) | 2012-01-04 | — | — | EP | disclosed |
| WO-2010097372-A1 | COMPOUNDS AS BRADYKININ B1 ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-09-02 | — | — | WO | disclosed |