Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 9/20 | 0.45 |
| ▸ | CA1 | P00915 | 8/20 | 0.45 |
| ▸ | CA9 | Q16790 | 7/20 | 0.45 |
| ▸ | CA12 | O43570 | 5/20 | 0.45 |
| ▸ | CA6 | P23280 | 4/20 | 0.45 |
| ▸ | CA4 | P22748 | 3/20 | 0.45 |
| ▸ | CA5A | P35218 | 3/20 | 0.45 |
| ▸ | CA7 | P43166 | 3/20 | 0.45 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | PTGES2 | Q9H7Z7 | 2/20 | 0.42 |
| ▸ | CA3 | P07451 | 1/20 | 0.40 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.40 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.40 |
| ▸ | DPP4 | P27487 | 2/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9719141 | 0.81 | DPP4 (0.55) | DPP4F2 | |
| SCHEMBL4661687 | 0.79 | PTGES2 (0.48) | CA2CA1CA9CA12CA6 | |
| SCHEMBL4662839 | 0.79 | PTGES2 (0.48) | CA2CA1CA9CA12CA6 | |
| Hydrochloric Acid SCHEMBL3517767 | 0.78 | PTGES2 (0.47) | CA2CA1CA9CA12CA6 | |
| SCHEMBL6366640 | 0.77 | PTGES2 (0.46) | CA2CA1CA9CA12CA6 | |
| SCHEMBL731096 | 0.76 | CA2 (0.48) | CA2CA1CA9CA12CA6 | |
| SCHEMBL6063207 | 0.75 | KDM4E (0.41) | CA2CA1CA9CA12CA6 | |
| SCHEMBL6362674 | 0.74 | KDM4E (0.46) | CA2CA1CA9CA12CA6 | |
| SCHEMBL21826752 | 0.74 | CA2 (0.50) | CA2CA1CA9CA12CA6 | |
| SCHEMBL29469924 | 0.74 | CA2 (0.50) | CA2CA1CA9CA12CA6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003101381-A2 | 1,2 DIAMIDO CYCLOALKYL SODIUM CHANNEL BLOCKERS | MERCK & CO., INC. (US) | 2003-12-11 | — | — | WO | disclosed |