Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDC7 | O00311 | 7/20 | 0.60 |
| ▸ | DBF4 | Q9UBU7 | 7/20 | 0.60 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.60 |
| ▸ | CDK2 | P24941 | 1/20 | 0.60 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.42 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.40 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.40 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10436914 | 0.84 | CYP3A4 (0.49) | CDC7DBF4CCNE1CDK2KDM4E | |
| SCHEMBL27544895 | 0.80 | CDC7 (0.49) | CDC7DBF4CCNE1CDK2MEN1 | |
| SCHEMBL8705340 | 0.73 | CDC7 (0.59) | CDC7DBF4CCNE1CDK2MEN1 | |
| SCHEMBL17374890 | 0.72 | CDC7 (0.72) | CDC7DBF4CCNE1CDK2MEN1 | |
| SCHEMBL14840937 | 0.70 | ALDH1A1 (0.38) | CDC7DBF4CCNE1CDK2KMT2A | |
| SCHEMBL8324969 | 0.70 | CDC7 (1.00) | CDC7DBF4CCNE1CDK2 | |
| SCHEMBL17374906 | 0.70 | CDC7 (0.69) | CDC7DBF4CCNE1CDK2MEN1 | |
| SCHEMBL624460 | 0.70 | MAPT (0.44) | CDC7DBF4CCNE1CDK2MEN1 | |
| SCHEMBL2517205 | 0.70 | ALDH1A1 (0.33) | MEN1KMT2AALDH1A1MAPTHPGD | |
| SCHEMBL6183091 | 0.70 | MEN1 (0.33) | MEN1KMT2AALDH1A1MAPT |
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 |