Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.54 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.43 |
| ▸ | SCN9A | Q15858 | 5/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.42 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.40 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.40 |
| ▸ | CDC7 | O00311 | 1/20 | 0.40 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 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 | |
|---|---|---|---|---|
| SCHEMBL1358529 | 0.87 | ALDH1A1 (0.49) | PARP1LMNAGAAPTGS1ALDH1A1 | |
| SCHEMBL30608075 | 0.86 | PARP1 (0.56) | PARP1PDK2LMNAGAABCAT2 | |
| SCHEMBL5143960 | 0.86 | PARP1 (0.56) | PARP1PDK2LMNAGAABCAT2 | |
| SCHEMBL160696 | 0.84 | PARP1 (0.47) | PARP1PDK2LMNAGAAPTGS1 | |
| SCHEMBL29442193 | 0.84 | PARP1 (0.47) | PARP1PDK2LMNAGAAPTGS1 | |
| SCHEMBL29733181 | 0.84 | PARP1 (0.58) | PARP1PDK2LMNAGAABCAT2 | |
| SCHEMBL6173688 | 0.83 | PARP1 (0.53) | PARP1PDK2LMNAGAABCAT2 | |
| SCHEMBL1512155 | 0.82 | BCAT2 (0.55) | PARP1PDK2LMNAGAABCAT2 | |
| SCHEMBL4776516 | 0.81 | PARP1 (0.52) | PARP1PDK2LMNAGAAPTGS1 | |
| SCHEMBL2484725 | 0.80 | PARP1 (0.49) | PARP1PDK2LMNAGAASCN9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1891064-A1 | N-AMIDE DERIVATIVES OF 8-AZABICYCLO[3.2.1]OCT-3-YL AS CCR1 ANTAGONISTS | Laboratorios Almirall, S.A. (ES) | 2008-02-27 | — | — | EP | disclosed |
| WO-2006133802-A1 | N-AMIDE DERIVATIVES OF 8-AZABICYCLO[3.2.1]OCT-3-YL AS CCR1 ANTAGONISTS | LABORATORIOS ALMIRALL, S.A. (ES) | 2006-12-21 | — | — | WO | disclosed |