Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.63 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.63 |
| ▸ | CASP1 | P29466 | 1/20 | 0.60 |
| ▸ | CASP3 | P42574 | 1/20 | 0.60 |
| ▸ | CASP4 | P49662 | 1/20 | 0.60 |
| ▸ | CASP7 | P55210 | 1/20 | 0.60 |
| ▸ | CASP9 | P55211 | 1/20 | 0.60 |
| ▸ | CASP6 | P55212 | 1/20 | 0.60 |
| ▸ | PTPRC | P08575 | 3/20 | 0.51 |
| ▸ | S100A4 | P26447 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | ACHE | P22303 | 2/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.47 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 3/20 | 0.46 |
| ▸ | CA9 | Q16790 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL516995 | 0.86 | CASP1 (0.63) | NR1H2NR1H3CASP1CASP3CASP4 | |
| SCHEMBL29945629 | 0.86 | CASP1 (0.63) | NR1H2NR1H3CASP1CASP3CASP4 | |
| SCHEMBL1704508 | 0.76 | PTPRC (0.58) | NR1H2NR1H3CASP1CASP3CASP4 | |
| Phthalimide SCHEMBL27559674 | 0.76 | CYP3A4 (0.67) | NR1H2NR1H3CASP1CASP3CASP4 | |
| SCHEMBL31268227 | 0.75 | CASP1 (0.54) | NR1H2NR1H3CASP1CASP3CASP4 | |
| SCHEMBL26621563 | 0.75 | CASP3 (0.77) | NR1H2NR1H3CASP1CASP3CASP4 | |
| SCHEMBL30232255 | 0.75 | CASP3 (1.00) | NR1H2NR1H3CASP1CASP3CASP4 | |
| SCHEMBL3594484 | 0.75 | CASP3 (1.00) | NR1H2NR1H3CASP1CASP3CASP4 | |
| SCHEMBL31419431 | 0.73 | CASP3 (0.72) | NR1H2NR1H3CASP1CASP3CASP4 | |
| SCHEMBL8090142 | 0.73 | ACHE (0.62) | ALDH1A1ACHEALOX5CA12CA9 |
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-2003020721-A1 | PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES | NOVARTIS AG (CH) | 2003-03-13 | — | — | WO | disclosed |