Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES2 | Q9H7Z7 | 6/20 | 0.42 |
| ▸ | CA2 | P00918 | 10/20 | 0.41 |
| ▸ | CA1 | P00915 | 8/20 | 0.41 |
| ▸ | CA9 | Q16790 | 5/20 | 0.41 |
| ▸ | CA6 | P23280 | 3/20 | 0.41 |
| ▸ | CA5A | P35218 | 3/20 | 0.41 |
| ▸ | CA4 | P22748 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL674104 | 0.84 | CA2 (0.45) | PTGES2CA2CA1CA9CA6 | |
| Hydrochloric Acid SCHEMBL14638222 | 0.82 | CA2 (0.45) | PTGES2CA2CA1CA9CA6 | |
| SCHEMBL12658152 | 0.78 | TAAR1 (0.50) | CA2CA9CA12 | |
| SCHEMBL30469499 | 0.75 | CA2 (0.52) | PTGES2CA2CA1CA9CA6 | |
| SCHEMBL301742 | 0.75 | CA2 (0.52) | PTGES2CA2CA1CA9CA6 | |
| SCHEMBL1146430 | 0.75 | CA2 (0.52) | PTGES2CA2CA1CA9CA6 | |
| SCHEMBL30096522 | 0.75 | CA2 (0.52) | PTGES2CA2CA1CA9CA6 | |
| SCHEMBL6226225 | 0.74 | TAAR1 (0.50) | — | |
| SCHEMBL15352818 | 0.74 | GABRA1 (0.46) | PTGES2CA2CA1CA9CA6 | |
| Hydrochloric Acid SCHEMBL3406090 | 0.74 | CA2 (0.50) | PTGES2CA2CA1CA9CA6 |
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-1761541-A1 | PYRRAZOLO-PYRIMIDINE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2007-03-14 | — | — | EP | disclosed |
| WO-2005123738-A1 | PYRRAZOLO-PYRIMIDINE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2005-12-29 | — | — | WO | disclosed |