Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 6/20 | 0.50 |
| ▸ | CA1 | P00915 | 4/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA7 | P43166 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.42 |
| ▸ | DGAT1 | O75907 | 9/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL25793106 | 1.00 | CA2 (0.50) | CA2CA1CA12CA7CA9 | |
| SCHEMBL21434282 | 0.86 | CA2 (0.67) | CA2CA1DGAT1ALDH1A1 | |
| SCHEMBL25796112 | 0.84 | CA2 (0.50) | CA2CA1CA12CA7CA9 | |
| SCHEMBL25796761 | 0.82 | CA2 (0.73) | CA2CA1CA12CA7CA9 | |
| SCHEMBL25794822 | 0.78 | CA2 (0.50) | CA2CA1CA12CA7CA9 | |
| SCHEMBL14665123 | 0.70 | SCN9A (0.45) | CNR2ALDH1A1 | |
| SCHEMBL2999685 | 0.69 | CNR2 (0.55) | DGAT1CNR2 | |
| SCHEMBL20254517 | 0.69 | DGAT1 (0.58) | CA2DGAT1ALDH1A1 | |
| SCHEMBL25794676 | 0.69 | CA2 (0.78) | CA2CA1CA12CA7CA9 | |
| SCHEMBL25249160 | 0.67 | CA2 (1.00) | CA2CA1CA12CA7CA9 |
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 |