Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 1/20 | 0.43 |
| ▸ | GNRHR | P30968 | 5/20 | 0.37 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.30 |
| ▸ | PPARA | Q07869 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8023243 | 1.00 | CACNA1B (0.43) | CACNA1BGNRHRMDM2NPSR1JAK2 | |
| SCHEMBL8023225 | 0.87 | CACNA1B (0.54) | CACNA1BGNRHR | |
| SCHEMBL8023220 | 0.87 | CACNA1B (0.54) | CACNA1BGNRHR | |
| SCHEMBL8012567 | 0.87 | CACNA1B (0.46) | CACNA1BGNRHR | |
| SCHEMBL8012565 | 0.87 | CACNA1B (0.46) | CACNA1BGNRHR | |
| SCHEMBL7967329 | 0.86 | CACNA1B (0.43) | CACNA1BGNRHR | |
| SCHEMBL7967331 | 0.86 | CACNA1B (0.43) | CACNA1BGNRHR | |
| SCHEMBL8479412 | 0.82 | GNRHR (0.44) | GNRHR | |
| SCHEMBL7858393 | 0.80 | GNRHR (0.49) | GNRHR | |
| SCHEMBL8012586 | 0.80 | GNRHR (0.49) | GNRHR |
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-6077847-A | ADMINISTERING A SUBSTITUTED INDOLE COMPOUND TO THE PATIENTS FOR THE TREATMENT OF A VARIETY OF SEX-HORMONE RELATED AND OTHER CONDITIONS IN BOTH MEN AND WOMEN | MERCK & CO., INC. (US) | 2000-06-20 | — | — | US | disclosed |
| US-6025366-A | Antagonists of gonadotropin releasing hormone | MERCK & CO., INC. (US) | 2000-02-15 | — | — | US | disclosed |
| US-5985892-A | USEFUL FOR THE TREATMENT OF A VARIETY OF SEX-HORMONE RELATED AND OTHER CONDITIONS IN BOTH MEN AND WOMEN; PREVENTING PREGNANCY; TREATING LUPUS ERYTHEMATOSIS, IRRITABLE BOWEL SYNDROME, PREMENSTRUAL SYNDROME, HIRSUTISM, SHORT STATURE OR A | MERCK & CO., LTD. (US) | 1999-11-16 | — | — | US | disclosed |