Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSR | P00390 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.40 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.40 |
| ▸ | ATR | Q13535 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.40 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.40 |
| ▸ | ATRIP | Q8WXE1 | 1/20 | 0.40 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.38 |
| ▸ | HPD | P32754 | 2/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.36 |
| ▸ | PDE2A | O00408 | 1/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.36 |
| ▸ | BMI1 | P35226 | 1/20 | 0.36 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.35 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13495645 | 0.88 | POLB (0.41) | GSRPKMNR1H2NR1H3ATR | |
| SCHEMBL13495669 | 0.81 | PTGS2 (0.51) | GSRNR1H2NR1H3POLBPTGS2 | |
| SCHEMBL13495696 | 0.78 | NR1H2 (0.61) | NR1H2NR1H3ATRCHEK1PDCD1 | |
| SCHEMBL13495638 | 0.75 | PTGS2 (0.47) | GSRPOLBPTGS2PTGS1ALDH3A1 | |
| SCHEMBL16540772 | 0.74 | ATR (0.44) | GSRPKMNR1H2NR1H3ATR | |
| SCHEMBL13495634 | 0.73 | POLB (0.44) | GSRATRPOLBCHEK1PDCD1 | |
| SCHEMBL13495644 | 0.73 | HTT (0.48) | GSRNR1H2NR1H3ATRPOLB | |
| SCHEMBL15742535 | 0.72 | GSR (0.43) | GSRATRPOLBCHEK1PDCD1 | |
| SCHEMBL13495653 | 0.72 | MAPK1 (0.66) | GSRPKMPOLBPIK3CAPDE10A | |
| SCHEMBL13495748 | 0.72 | PIK3CA (0.54) | GSRPOLBPIK3CABMI1PIK3CD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010012745-A2 | BENZIMIDAZOLES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-02-04 | — | — | WO | disclosed |