Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 1/20 | 0.45 |
| ▸ | GNRHR | P30968 | 19/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL7987363 | 0.94 | CACNA1B (0.52) | CACNA1BGNRHRCYP3A4 | |
| SCHEMBL7990467 | 0.88 | CACNA1B (0.41) | CACNA1BGNRHRCYP3A4 | |
| SCHEMBL7645704 | 0.86 | GNRHR (0.42) | CACNA1BGNRHRCYP3A4 | |
| SCHEMBL8479459 | 0.85 | GNRHR (0.44) | CACNA1BGNRHRCYP3A4 | |
| SCHEMBL8479454 | 0.85 | GNRHR (0.44) | CACNA1BGNRHRCYP3A4 | |
| SCHEMBL7552440 | 0.84 | GNRHR (0.45) | CACNA1BGNRHRCYP3A4 | |
| SCHEMBL7543620 | 0.83 | GNRHR (0.39) | CACNA1BGNRHRCYP3A4 | |
| SCHEMBL8477523 | 0.79 | CACNA1B (0.50) | CACNA1BGNRHRCYP3A4 | |
| SCHEMBL8477520 | 0.79 | CACNA1B (0.50) | CACNA1BGNRHRCYP3A4 | |
| SCHEMBL7980869 | 0.75 | CACNA1B (0.46) | CACNA1BGNRHRCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-6180642-B1 | SEXUAL DISORDERS; CONTRACEPTIVES | MERCK & CO., INC. | 2001-01-30 | — | — | US | disclosed |