Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 10/20 | 0.73 |
| ▸ | CA1 | P00915 | 9/20 | 0.62 |
| ▸ | CA9 | Q16790 | 8/20 | 0.62 |
| ▸ | CA12 | O43570 | 6/20 | 0.62 |
| ▸ | CA7 | P43166 | 6/20 | 0.62 |
| ▸ | CA14 | Q9ULX7 | 6/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | SPHK1 | Q9NYA1 | 3/20 | 0.47 |
| ▸ | SPHK2 | Q9NRA0 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL25794676 | 0.86 | CA2 (0.78) | CA2CA1CA9CA12CA7 | |
| SCHEMBL25249160 | 0.84 | CA2 (1.00) | CA2CA1CA9CA12CA7 | |
| SCHEMBL16369616 | 0.84 | CA2 (1.00) | CA2CA1CA9CA12CA7 | |
| SCHEMBL16369614 | 0.84 | CA2 (1.00) | CA2CA1CA9CA12CA7 | |
| SCHEMBL25793176 | 0.82 | CA2 (0.73) | CA2CA1CA9CA12CA7 | |
| SCHEMBL25793106 | 0.82 | CA2 (0.50) | CA2CA1CA9CA12CA7 | |
| SCHEMBL25794822 | 0.82 | CA2 (0.50) | CA2CA1CA9CA12CA7 | |
| SCHEMBL25796484 | 0.82 | CA2 (0.50) | CA2CA1CA9CA12CA7 | |
| SCHEMBL21697177 | 0.74 | CA2 (0.68) | CA2CA1CA9CA12CA7 | |
| SCHEMBL12392941 | 0.72 | CA2 (0.58) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023133507-A1 | ESTRADIOL PRODRUGS AND METHODS OF USE THEREOF | UNIVERSITY OF MARYLAND, BALTIMORE (US) | 2023-07-13 | — | — | WO | disclosed |