Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100A9 | P06702 | 5/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.35 |
| ▸ | FEN1 | P39748 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CCR4 | P51679 | 5/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.32 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1348241 | 0.90 | S100A9 (0.48) | S100A9ALDH1A1ALOX5APFEN1CA12 | |
| SCHEMBL1349433 | 0.82 | ALDH1A1 (0.52) | S100A9ALDH1A1LMNA | |
| SCHEMBL2824866 | 0.74 | S100A9 (0.49) | S100A9ALDH1A1CCR4LMNA | |
| SCHEMBL1348659 | 0.74 | S100A9 (0.44) | S100A9ALDH1A1ALOX5APFEN1SMN1; SMN2 | |
| SCHEMBL9672623 | 0.73 | S100A9 (0.50) | S100A9ALDH1A1CCR4LMNASMN1; SMN2 | |
| SCHEMBL16235646 | 0.72 | S100A9 (0.57) | S100A9ALDH1A1CCR4 | |
| SCHEMBL1348502 | 0.71 | ALDH1A1 (0.52) | S100A9ALDH1A1LMNA | |
| SCHEMBL16235609 | 0.70 | S100A9 (0.56) | S100A9CCR4 | |
| SCHEMBL16235432 | 0.69 | S100A9 (0.60) | S100A9CCR4 | |
| SCHEMBL16235976 | 0.69 | S100A9 (0.59) | S100A9ALDH1A1CCR4 |
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 |
|---|---|---|---|---|---|---|---|
| US-8063048-B2 | Acetylenyl-pyrazolo-pyrimidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2011-11-22 | — | — | US | disclosed |