Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA7 | P43166 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL11728807 | 0.99 | CA1 (0.43) | CA1CA2CA7CA9CA4 | |
| Water SCHEMBL11728800 | 0.99 | CA1 (0.43) | CA1CA2CA7CA9CA4 | |
| SCHEMBL11728727 | 0.89 | ALDH1A1 (0.48) | CA1CA2CA7CA9CA4 | |
| SCHEMBL11731273 | 0.84 | ALDH1A1 (0.45) | — | |
| SCHEMBL11730106 | 0.84 | TBXA2R (0.53) | — | |
| SCHEMBL11728631 | 0.82 | FFAR4 (0.44) | — | |
| SCHEMBL9184811 | 0.82 | CA1 (0.57) | CA1CA2CA7CA9CA4 | |
| SCHEMBL11730813 | 0.81 | FFAR4 (0.40) | — | |
| SCHEMBL11731428 | 0.81 | FFAR4 (0.47) | — | |
| SCHEMBL11731250 | 0.80 | KDM4E (0.44) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4055596-A | PHARMACEUTICALS | MERCK & CO., INC. (US) | 1977-10-25 | — | — | US | disclosed |
| US-3991106-A | FOR ESTRUS SYNCHRONIZATION AND TREATMENT OF INFERTILITY | MERCK & CO., INC. (US) | 1976-11-09 | — | — | US | disclosed |