Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 16/20 | 0.50 |
| ▸ | CA1 | P00915 | 11/20 | 0.50 |
| ▸ | CA9 | Q16790 | 8/20 | 0.50 |
| ▸ | CA12 | O43570 | 4/20 | 0.50 |
| ▸ | CA7 | P43166 | 4/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.50 |
| ▸ | CA3 | P07451 | 2/20 | 0.50 |
| ▸ | CA4 | P22748 | 2/20 | 0.50 |
| ▸ | CA6 | P23280 | 2/20 | 0.50 |
| ▸ | CA5A | P35218 | 2/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.50 |
| ▸ | SMPD1 | P17405 | 3/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11566006 | 0.82 | CA2 (0.48) | CA2CA1CA9CA12CA7 | |
| SCHEMBL23748427 | 0.82 | CA2 (0.48) | CA2CA1CA9CA12CA7 | |
| SCHEMBL5278349 | 0.81 | SMPD1 (0.47) | CA2CA1CA9CA12CA7 | |
| SCHEMBL5273914 | 0.81 | SMPD1 (0.47) | CA2CA1CA9CA12CA7 | |
| SCHEMBL10896994 | 0.80 | CA2 (0.47) | CA2CA1CA9CA12CA7 | |
| SCHEMBL11695584 | 0.79 | SMPD1 (0.50) | CA2CA1CA9CA12CA7 | |
| SCHEMBL5281509 | 0.78 | SMPD1 (0.44) | CA2CA1CA9CA12CA7 | |
| SCHEMBL20542290 | 0.76 | CA2 (0.50) | CA2CA1CA9CA12CA7 | |
| SCHEMBL24665746 | 0.76 | CA2 (0.50) | CA2CA1CA9CA12CA7 | |
| SCHEMBL20074598 | 0.76 | CA2 (0.50) | CA2CA1CA9CA12CA7 |
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-1528922-A1 | USE OF TREOSULFAN AND DERIVATIVES THEREOF FOR TREATING MULTIPLE SCLEROSIS | Medac Gesellschaft für klinische Spezialpräparate mbH (DE) | 2005-05-11 | — | — | EP | disclosed |
| WO-2004016263-A1 | USE OF TREOSULFAN AND DERIVATIVES THEREOF FOR TREATING MULTIPLE SCLEROSIS | Medac Gesellschaft für klinische Spezialpräparate mbH (DE) | 2004-02-26 | — | — | WO | disclosed |