Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | NAMPT | P43490 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | RORC | P51449 | 1/20 | 0.34 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.34 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6563605 | 0.91 | GAA (0.37) | HSD11B1GAAHPGDNAMPTHTT | |
| SCHEMBL6563002 | 0.86 | HRH3 (0.42) | HSD11B1GAAHPGDNAMPTHRH3 | |
| SCHEMBL6563266 | 0.85 | LRRK2 (0.42) | LRRK2ROCK2HSD11B1GAAHPGD | |
| SCHEMBL6563752 | 0.85 | GAA (0.35) | HSD11B1GAAHPGDNAMPTHTT | |
| SCHEMBL6565417 | 0.84 | PTPN11 (0.36) | HSD11B1GAAHPGDNAMPTHRH3 | |
| SCHEMBL6561835 | 0.82 | PTPN11 (0.35) | HSD11B1GAAHPGDNAMPTHTT | |
| SCHEMBL6563507 | 0.79 | KCNK3 (0.31) | HSD11B1GAAHPGDNAMPTHTT | |
| SCHEMBL6563920 | 0.78 | KLK5 (0.41) | ROCK2ALDH1A1KMT2APDK2 | |
| SCHEMBL6563568 | 0.77 | CNR2 (0.39) | GAAHPGDNAMPTHTTPOLB | |
| SCHEMBL6563511 | 0.77 | PTPN11 (0.40) | ROCK2HSD11B1POLBPDK2 |
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-1140802-B1 | SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES | BOEHRINGER INGELHEIM PHARMA (DE) | 2004-03-17 | — | — | EP | disclosed |
| US-6479524-B1 | TO PROLONG THE THROMBIN TIME | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2002-11-12 | — | — | US | disclosed |