Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 17/20 | 0.40 |
| ▸ | CA1 | P00915 | 13/20 | 0.39 |
| ▸ | CA12 | O43570 | 4/20 | 0.39 |
| ▸ | CA7 | P43166 | 4/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.39 |
| ▸ | CA9 | Q16790 | 8/20 | 0.38 |
| ▸ | CA3 | P07451 | 2/20 | 0.36 |
| ▸ | CA4 | P22748 | 2/20 | 0.36 |
| ▸ | CA6 | P23280 | 2/20 | 0.36 |
| ▸ | CA5A | P35218 | 2/20 | 0.36 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL276801 | 0.94 | CA2 (0.43) | CA2CA1CA12CA7CA14 | |
| SCHEMBL28480577 | 0.87 | TP53 (0.47) | CA2CA1CA12CA7CA14 | |
| SCHEMBL276173 | 0.85 | CA2 (0.47) | CA2CA1CA12CA7CA14 | |
| SCHEMBL276258 | 0.84 | CA2 (0.50) | CA2CA1CA12CA7CA14 | |
| SCHEMBL9302683 | 0.83 | CA2 (0.40) | CA2CA1CA12CA7CA14 | |
| SCHEMBL27951234 | 0.81 | CA2 (0.41) | CA2CA1CA12CA7CA14 | |
| SCHEMBL24665746 | 0.80 | CA2 (0.50) | CA2CA1CA12CA7CA14 | |
| SCHEMBL277861 | 0.80 | CA2 (0.45) | CA2CA1CA12CA7CA14 | |
| SCHEMBL20542290 | 0.80 | CA2 (0.50) | CA2CA1CA12CA7CA14 | |
| SCHEMBL20074598 | 0.80 | CA2 (0.50) | CA2CA1CA12CA7CA14 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002017912-A1 | ENDOTHELIN ANTAGONISTS | ABBOTT LABORATORIES (US) | 2002-03-07 | — | — | WO | disclosed |
| EP-1003740-A2 | PYRROLIDINE-3-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGOISTS | Abbott Laboratories (US) | 2000-05-31 | — | — | EP | disclosed |
| WO-1999006397-A2 | PYRROLIDINE-3-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS | ABBOTT LABORATORIES (US) | 1999-02-11 | — | — | WO | disclosed |