Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDC7 | O00311 | 18/20 | 1.00 |
| ▸ | DBF4 | Q9UBU7 | 18/20 | 1.00 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.69 |
| ▸ | CDK2 | P24941 | 1/20 | 0.69 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL15049215 | 0.88 | CDC7 (0.79) | CDC7DBF4CCNE1CDK2TRPM8 | |
| SCHEMBL4163787 | 0.88 | CDC7 (0.79) | CDC7DBF4TRPM8 | |
| SCHEMBL5733147 | 0.85 | CDC7 (1.00) | CDC7DBF4TRPM8 | |
| SCHEMBL17374890 | 0.84 | CDC7 (0.72) | CDC7DBF4CCNE1CDK2 | |
| SCHEMBL5240574 | 0.84 | CDC7 (1.00) | CDC7DBF4TRPM8 | |
| Hydrochloric Acid SCHEMBL11121421 | 0.83 | CDC7 (0.76) | CDC7DBF4TRPM8 | |
| SCHEMBL5237288 | 0.81 | CDC7 (0.68) | CDC7DBF4TRPM8 | |
| SCHEMBL953385 | 0.80 | CDC7 (1.00) | CDC7DBF4CCNE1CDK2TRPM8 | |
| SCHEMBL17291419 | 0.80 | CDC7 (0.70) | CDC7DBF4TRPM8 | |
| SCHEMBL17374877 | 0.79 | TRPM8 (0.75) | CDC7DBF4TRPM8 |
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-0858444-A4 | CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 1999-12-01 | — | — | EP | disclosed |
| EP-0858444-A1 | CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 1998-08-19 | — | — | EP | disclosed |
| US-5750549-A | ANTIINFLAMMATORY AGENTS OR ANALGESICS | MERCK & CO., INC. (US) | 1998-05-12 | — | — | US | disclosed |
| WO-1997014671-A1 | CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1997-04-24 | — | — | WO | disclosed |