Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | SPHK1 | Q9NYA1 | 5/20 | 0.41 |
| ▸ | SPHK2 | Q9NRA0 | 3/20 | 0.41 |
| ▸ | VNN1 | O95497 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL25794740 | 0.87 | CA2 (0.53) | CA2ALDH1A1L3MBTL1CA12CA1 | |
| SCHEMBL25287803 | 0.86 | CA2 (0.67) | CA2ALDH1A1L3MBTL1CA12CA1 | |
| SCHEMBL25793100 | 0.85 | CA2 (0.51) | CA2ALDH1A1L3MBTL1ENPP2CA12 | |
| SCHEMBL25796761 | 0.82 | CA2 (0.73) | CA2ALDH1A1L3MBTL1CA12CA1 | |
| SCHEMBL30524782 | 0.78 | VNN1 (0.49) | CA2ALDH1A1L3MBTL1ENPP2SPHK1 | |
| SCHEMBL25796484 | 0.78 | CA2 (0.50) | CA2ALDH1A1CA12CA1CA7 | |
| SCHEMBL25793106 | 0.78 | CA2 (0.50) | CA2ALDH1A1CA12CA1CA7 | |
| SCHEMBL5909232 | 0.69 | ALDH1A1 (0.48) | ALDH1A1L3MBTL1VNN1 | |
| SCHEMBL25794676 | 0.69 | CA2 (0.78) | CA2L3MBTL1CA12CA1CA7 | |
| SCHEMBL6275232 | 0.69 | ALDH1A1 (0.60) | CA2ALDH1A1L3MBTL1 |
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 |