Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 3/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | LPAR1 | Q92633 | 3/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.42 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 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 | |
|---|---|---|---|---|
| SCHEMBL11657458 | 0.90 | CA1 (0.45) | CA1CA2CA7CA9MAPK1 | |
| SCHEMBL19526512 | 0.78 | MEN1 (0.56) | ALDH1A1MEN1HPGDKMT2A | |
| SCHEMBL293781 | 0.78 | MEN1 (0.56) | ALDH1A1MEN1HPGDKMT2A | |
| SCHEMBL20943333 | 0.78 | ALDH1A1 (0.51) | ALDH1A1MEN1HPGDKMT2AMAPK1 | |
| SCHEMBL20943329 | 0.78 | ALDH1A1 (0.51) | ALDH1A1MEN1HPGDKMT2AMAPK1 | |
| SCHEMBL11658560 | 0.77 | CYP2D6 (0.45) | ALDH1A1MEN1KMT2AL3MBTL1 | |
| SCHEMBL28769441 | 0.77 | TRPA1 (0.51) | ALDH1A1MEN1HPGDKMT2ALPAR1 | |
| SCHEMBL24180469 | 0.77 | CA1 (0.51) | ALDH1A1CA1CA2CA7CA9 | |
| SCHEMBL19996583 | 0.77 | CA1 (0.51) | ALDH1A1CA1CA2CA7CA9 | |
| SCHEMBL22483207 | 0.76 | ALDH1A1 (0.53) | ALDH1A1KMT2AMAPK1L3MBTL1EPHX2 |
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 |