Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 7/20 | 0.47 |
| ▸ | MCL1 | Q07820 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.44 |
| ▸ | GLA | P06280 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 6/20 | 0.44 |
| ▸ | CA9 | Q16790 | 6/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 4/20 | 0.44 |
| ▸ | CA1 | P00915 | 4/20 | 0.44 |
| ▸ | CA7 | P43166 | 3/20 | 0.44 |
| ▸ | CA4 | P22748 | 2/20 | 0.44 |
| ▸ | CA6 | P23280 | 2/20 | 0.44 |
| ▸ | CA5A | P35218 | 2/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.44 |
| ▸ | CA3 | P07451 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | ACHE | P22303 | 3/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5204008 | 0.77 | ALDH1A1 (0.50) | MCL1ALDH1A1KDM4EGLAL3MBTL1 | |
| SCHEMBL5200967 | 0.74 | CA12 (0.47) | PGRMCL1ALDH1A1KDM4EGLA | |
| SCHEMBL1490920 | 0.74 | CA9 (0.56) | PGRMCL1ALDH1A1KDM4EGLA | |
| SCHEMBL5203277 | 0.74 | CA9 (0.47) | PGRMCL1ALDH1A1KDM4EGLA | |
| SCHEMBL214310 | 0.72 | KDM4E (0.67) | PGRMCL1ALDH1A1KDM4EGLA | |
| SCHEMBL29007333 | 0.72 | KDM4E (0.67) | PGRMCL1ALDH1A1KDM4EGLA | |
| SCHEMBL30480281 | 0.72 | KDM4E (0.67) | PGRMCL1ALDH1A1KDM4EGLA | |
| SCHEMBL5201844 | 0.70 | CA9 (0.50) | PGRMCL1ALDH1A1KDM4EGLA | |
| SCHEMBL154753 | 0.67 | CA12 (0.52) | PGRMCL1ALDH1A1KDM4EGLA | |
| SCHEMBL15398186 | 0.67 | PGR (0.76) | PGRMCL1ALDH1A1KDM4EGLA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0998474-B1 | PIPERAZINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2007-02-07 | — | — | EP | disclosed |
| EP-0998474-A1 | PIPERAZINE DERIVATIVES | MERCK PATENT GmbH (DE) | 2000-05-10 | — | — | EP | disclosed |
| WO-1999003855-A1 | PIPERAZINE DERIVATIVES | MERCK PATENT GMBH (DE) | 1999-01-28 | — | — | WO | disclosed |