Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 1/20 | 0.50 |
| ▸ | GNRHR | P30968 | 19/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8477523 | 1.00 | CACNA1B (0.50) | CACNA1BGNRHRCYP3A4 | |
| SCHEMBL8479459 | 0.94 | GNRHR (0.44) | CACNA1BGNRHRCYP3A4 | |
| SCHEMBL8479454 | 0.94 | GNRHR (0.44) | CACNA1BGNRHRCYP3A4 | |
| SCHEMBL8183827 | 0.91 | CACNA1B (0.54) | CACNA1BGNRHRCYP3A4 | |
| SCHEMBL8183825 | 0.91 | CACNA1B (0.54) | CACNA1BGNRHRCYP3A4 | |
| SCHEMBL8479412 | 0.88 | GNRHR (0.44) | GNRHRCYP3A4 | |
| SCHEMBL7987363 | 0.85 | CACNA1B (0.52) | CACNA1BGNRHRCYP3A4 | |
| SCHEMBL7980867 | 0.84 | CACNA1B (0.46) | CACNA1BGNRHRCYP3A4 | |
| SCHEMBL7980869 | 0.84 | CACNA1B (0.46) | CACNA1BGNRHRCYP3A4 | |
| SCHEMBL8523626 | 0.83 | GNRHR (0.54) | GNRHRCYP3A4 |
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-5998432-A | SEXUAL DISORDERS | MERCK & CO., INC. (US) | 1999-12-07 | — | — | US | disclosed |