Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 11/20 | 1.00 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.68 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.67 |
| ▸ | CA1 | P00915 | 10/20 | 0.64 |
| ▸ | CA12 | O43570 | 8/20 | 0.64 |
| ▸ | CA7 | P43166 | 8/20 | 0.64 |
| ▸ | CA9 | Q16790 | 8/20 | 0.64 |
| ▸ | CA14 | Q9ULX7 | 8/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL16369616 | 1.00 | CA2 (1.00) | CA2TDP1L3MBTL1CA1CA12 | |
| SCHEMBL16369614 | 1.00 | CA2 (1.00) | CA2TDP1L3MBTL1CA1CA12 | |
| SCHEMBL25794676 | 0.88 | CA2 (0.78) | CA2TDP1L3MBTL1CA1CA12 | |
| SCHEMBL5537767 | 0.87 | CA2 (0.75) | CA2TDP1L3MBTL1ALDH1A1NPSR1 | |
| SCHEMBL6787910 | 0.87 | CA2 (0.75) | CA2TDP1L3MBTL1ALDH1A1NPSR1 | |
| SCHEMBL3719685 | 0.86 | CA2 (0.76) | CA2TDP1L3MBTL1CA1CA12 | |
| SCHEMBL25796761 | 0.84 | CA2 (0.73) | CA2TDP1L3MBTL1CA1CA12 | |
| SCHEMBL25793176 | 0.84 | CA2 (0.73) | CA2TDP1L3MBTL1CA1CA12 | |
| SCHEMBL28069383 | 0.84 | CA2 (0.73) | CA2TDP1L3MBTL1CA1ALDH1A1 | |
| SCHEMBL4739555 | 0.82 | CA2 (0.70) | CA2TDP1L3MBTL1ALDH1A1NPSR1 |
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 |