Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GNRHR | P30968 | 18/20 | 0.56 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7514184 | 1.00 | GNRHR (0.56) | GNRHRCACNA1BCYP3A4 | |
| SCHEMBL7516989 | 0.91 | GNRHR (0.60) | GNRHRCACNA1B | |
| SCHEMBL7516980 | 0.91 | GNRHR (0.60) | GNRHRCACNA1B | |
| SCHEMBL7863995 | 0.90 | GNRHR (0.53) | GNRHRCACNA1BCYP3A4 | |
| SCHEMBL7863999 | 0.90 | GNRHR (0.53) | GNRHRCACNA1BCYP3A4 | |
| SCHEMBL7512794 | 0.88 | GNRHR (0.52) | GNRHRCACNA1BCYP3A4 | |
| SCHEMBL7512785 | 0.88 | GNRHR (0.52) | GNRHRCACNA1BCYP3A4 | |
| SCHEMBL7855390 | 0.85 | GNRHR (0.57) | GNRHRCACNA1B | |
| SCHEMBL7855392 | 0.85 | GNRHR (0.57) | GNRHRCACNA1B | |
| SCHEMBL7541501 | 0.84 | GNRHR (0.68) | GNRHRCACNA1BCYP3A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1049472-A4 | ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE | MERCK & CO INC (US) | 2002-04-03 | — | — | EP | disclosed |
| US-6211224-B1 | AMINOALKYLINDOLE COMPOUNDS | MERCK & CO., INC. | 2001-04-03 | — | — | US | disclosed |
| EP-1049472-A1 | ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE | Merck & Co., Inc. (US) | 2000-11-08 | — | — | EP | disclosed |
| WO-1999021557-A1 | ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE | MERCK & CO., INC. (US) | 1999-05-06 | — | — | WO | disclosed |