Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 2/20 | 0.46 |
| ▸ | GNRHR | P30968 | 18/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7980869 | 1.00 | CACNA1B (0.46) | CACNA1BGNRHRCYP3A4 | |
| SCHEMBL8183827 | 0.93 | CACNA1B (0.54) | CACNA1BGNRHRCYP3A4 | |
| SCHEMBL8183825 | 0.93 | CACNA1B (0.54) | CACNA1BGNRHRCYP3A4 | |
| SCHEMBL8479459 | 0.91 | GNRHR (0.44) | CACNA1BGNRHRCYP3A4 | |
| SCHEMBL8479454 | 0.91 | GNRHR (0.44) | CACNA1BGNRHRCYP3A4 | |
| SCHEMBL7967331 | 0.87 | CACNA1B (0.43) | CACNA1BGNRHRCYP3A4 | |
| SCHEMBL7967329 | 0.87 | CACNA1B (0.43) | CACNA1BGNRHRCYP3A4 | |
| SCHEMBL8477520 | 0.84 | CACNA1B (0.50) | CACNA1BGNRHRCYP3A4 | |
| SCHEMBL8477523 | 0.84 | CACNA1B (0.50) | CACNA1BGNRHRCYP3A4 | |
| SCHEMBL8012567 | 0.84 | CACNA1B (0.46) | CACNA1BGNRHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6228867-B1 | 2-PHENYL-PYRROLO(2,3-B)PYRIDINE DERIVATIVES FOR TREATING UROGENITAL AND SLEEP DISORDERS; ANTICARCINOGENIC AGENTS; BENIGN PROSTATIC HYPERPLASIA | MERCK & CO., INC. | 2001-05-08 | — | — | US | disclosed |
| US-6110931-A | FOR PREGNANCY PROPHYLAXIS AND TREATMENT OF GLANDULAR DISORDERS, HORMONE DEFICIENCY DISORDERS, GASTROINTESTINAL DISORDERS, GROWTH DISORDERS | MERCK & CO., INC. (US) | 2000-08-29 | — | — | US | disclosed |