Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 5/20 | 0.55 |
| ▸ | CA1 | P00915 | 4/20 | 0.55 |
| ▸ | CA9 | Q16790 | 2/20 | 0.55 |
| ▸ | PTGES2 | Q9H7Z7 | 15/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA6 | P23280 | 1/20 | 0.50 |
| ▸ | CA5A | P35218 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL2168328 | 0.80 | PTGES2 (0.49) | PTGES2 | |
| SCHEMBL11427391 | 0.78 | ALDH1A1 (0.51) | — | |
| SCHEMBL27944569 | 0.75 | CA1 (0.78) | CA2CA1CA9PTGES2 | |
| SCHEMBL11491291 | 0.74 | PTGES2 (0.48) | PTGES2 | |
| SCHEMBL3783806 | 0.73 | CA2 (0.66) | CA2CA1CA9PTGES2CA12 | |
| SCHEMBL76930 | 0.73 | CA2 (0.42) | CA2CA1CA9CA12CA6 | |
| SCHEMBL7051356 | 0.73 | KEAP1 (0.53) | CA2CA1CA9CA12 | |
| SCHEMBL3779868 | 0.71 | CA1 (1.00) | CA2CA1CA9PTGES2 | |
| SCHEMBL3783309 | 0.71 | CA2 (1.00) | CA2CA1CA9PTGES2CA12 | |
| SCHEMBL1127421 | 0.71 | CA2 (0.62) | CA2CA1CA9PTGES2CA12 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0874629-A4 | ISOXAZOLINE, ISOTHIAZOLINE AND PYRAZOLINE FACTOR Xa INHIBITORS | DU PONT MERCK PHARMA (US) | 1999-08-04 | — | — | EP | disclosed |
| EP-0874629-A1 | ISOXAZOLINE, ISOTHIAZOLINE AND PYRAZOLINE FACTOR Xa INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-11-04 | — | — | EP | disclosed |
| WO-1997023212-A1 | ISOXAZOLINE, ISOTHIAZOLINE AND PYRAZOLINE FACTOR Xa INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-07-03 | — | — | WO | disclosed |