Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | MCL1 | Q07820 | 7/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | CA9 | Q16790 | 12/20 | 0.47 |
| ▸ | CA12 | O43570 | 11/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.47 |
| ▸ | CA1 | P00915 | 7/20 | 0.47 |
| ▸ | CA7 | P43166 | 6/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.47 |
| ▸ | AKR1B1 | P15121 | 5/20 | 0.47 |
| ▸ | HPGD | P15428 | 4/20 | 0.47 |
| ▸ | CA4 | P22748 | 4/20 | 0.47 |
| ▸ | CA6 | P23280 | 4/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.47 |
| ▸ | CA5A | P35218 | 3/20 | 0.47 |
| ▸ | CA3 | P07451 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 5/20 | 0.47 |
| ▸ | GLA | P06280 | 5/20 | 0.47 |
| ▸ | CASP1 | P29466 | 3/20 | 0.47 |
| ▸ | CASP7 | P55210 | 3/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3369222 | 0.85 | ALDH1A1 (0.55) | ALDH1A1MCL1KMT2ACA9CA12 | |
| SCHEMBL5203277 | 0.78 | CA9 (0.47) | ALDH1A1MCL1KMT2ACA9CA12 | |
| SCHEMBL5200967 | 0.78 | CA12 (0.47) | ALDH1A1MCL1KMT2ACA9CA12 | |
| SCHEMBL1490920 | 0.78 | CA9 (0.56) | ALDH1A1MCL1KMT2ACA9CA12 | |
| SCHEMBL5202137 | 0.77 | PGR (0.47) | ALDH1A1MCL1KMT2ACA9CA12 | |
| SCHEMBL5201844 | 0.74 | CA9 (0.50) | ALDH1A1MCL1KMT2ACA9CA12 | |
| SCHEMBL76393 | 0.72 | ALDH1A1 (0.74) | ALDH1A1MCL1KMT2ACA9CA12 | |
| SCHEMBL8036025 | 0.72 | ALDH1A1 (0.62) | ALDH1A1MCL1KMT2ACA9CA12 | |
| SCHEMBL4471575 | 0.71 | CYP2A6 (0.36) | KDM4EHSD17B10ACHECYP3A4CYP2A6 | |
| SCHEMBL11194490 | 0.68 | GAA (0.64) | ALDH1A1MCL1KMT2ACA9CA12 |
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 |