Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.52 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.50 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.47 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.47 |
| ▸ | SCN9A | Q15858 | 5/20 | 0.43 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.40 |
| ▸ | GRK6 | P43250 | 1/20 | 0.40 |
| ▸ | CCNC | P24863 | 1/20 | 0.39 |
| ▸ | CDK8 | P49336 | 1/20 | 0.39 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.39 |
| ▸ | FABP4 | P15090 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3824168 | 0.88 | FABP4 (0.48) | PARP1PDK2PTGS1LMNAGAA | |
| SCHEMBL6173681 | 0.85 | PARP1 (0.52) | PARP1PDK2KEAP1NFE2L2SCN9A | |
| SCHEMBL1512156 | 0.84 | KEAP1 (0.65) | PARP1PDK2KEAP1NFE2L2LMNA | |
| SCHEMBL3786213 | 0.82 | KEAP1 (0.58) | PARP1PDK2KEAP1NFE2L2LMNA | |
| SCHEMBL4776527 | 0.81 | PARP1 (0.54) | PARP1PDK2KEAP1NFE2L2SCN9A | |
| SCHEMBL30608075 | 0.80 | PARP1 (0.56) | PARP1PDK2KEAP1NFE2L2SCN9A | |
| SCHEMBL5143960 | 0.80 | PARP1 (0.56) | PARP1PDK2KEAP1NFE2L2SCN9A | |
| SCHEMBL22263186 | 0.80 | PARP1 (0.48) | PARP1PDK2KEAP1NFE2L2SCN9A | |
| SCHEMBL16739633 | 0.78 | CDC7 (0.46) | PARP1PDK2SCN9ASCN10AALDH1A1 | |
| SCHEMBL29733181 | 0.78 | PARP1 (0.58) | PARP1PDK2KEAP1NFE2L2SCN9A |
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 |