Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CA7 | P43166 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 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 | |
|---|---|---|---|---|
| SCHEMBL11657183 | 0.90 | ALDH1A1 (0.44) | CA1CA2CA7CA9MAPK1 | |
| SCHEMBL9184811 | 0.85 | CA1 (0.57) | CA1CA2CA7CA9FOLH1 | |
| SCHEMBL11655756 | 0.83 | CYP2D6 (0.48) | MAPTFFAR4FFAR1SLC1A1 | |
| SCHEMBL11658378 | 0.83 | TBXA2R (0.56) | MAPTFFAR4FFAR1MMP3 | |
| SCHEMBL11657156 | 0.81 | FFAR4 (0.51) | FFAR4FFAR1TBXAS1 | |
| SCHEMBL11659103 | 0.80 | FFAR4 (0.46) | FFAR4FFAR1TBXAS1 | |
| SCHEMBL11662319 | 0.80 | FFAR4 (0.54) | FFAR4FFAR1TBXAS1 | |
| SCHEMBL25619355 | 0.78 | EPHX2 (0.49) | FOLH1MAPTRXFP1MAPK1FFAR4 | |
| SCHEMBL11658754 | 0.78 | KDM4E (0.42) | FFAR4FFAR1 | |
| SCHEMBL11729893 | 0.78 | CA1 (0.44) | CA1CA2CA7CA9FOLH1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4126629-A | FERTILITY CONTROL | MERCK & CO., INC. (US) | 1978-11-21 | — | — | US | disclosed |
| US-4061643-A | ANTIFERTILITY | MERCK & CO., INC. (US) | 1977-12-06 | — | — | US | disclosed |
| US-4020177-A | CONTRACEPTIVES | MERCK & CO., INC. (US) | 1977-04-26 | — | — | US | disclosed |