Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACAT2 | Q9BWD1 | 3/20 | 0.38 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 2/20 | 0.33 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.32 |
| ▸ | TDO2 | P48775 | 1/20 | 0.32 |
| ▸ | BPTF | Q12830 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 2/20 | 0.31 |
| ▸ | MAOB | P27338 | 2/20 | 0.31 |
| ▸ | FYN | P06241 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | AURKA | O14965 | 1/20 | 0.31 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.31 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | IGF1R | P08069 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17757847 | 0.90 | ELANE (0.37) | ACAT2ELANEPARP1ENPP1TDO2 | |
| SCHEMBL17757292 | 0.89 | ACAT2 (0.38) | ACAT2 | |
| SCHEMBL17758035 | 0.88 | ELANE (0.38) | ELANEPARP1ENPP1TDO2BPTF | |
| SCHEMBL17757092 | 0.88 | ELANE (0.36) | ACAT2ELANEPARP1ENPP1TDO2 | |
| SCHEMBL17757733 | 0.88 | ACAT2 (0.34) | ACAT2ELANE | |
| SCHEMBL17757203 | 0.87 | ACAT2 (0.38) | ACAT2MEN1GAAMAPTKMT2A | |
| SCHEMBL17757294 | 0.87 | CTSB (0.39) | ACAT2LMNAMAPT | |
| SCHEMBL17757281 | 0.87 | ACAT2 (0.53) | ACAT2MAOBLMNAMAPTKMT2A | |
| SCHEMBL17757718 | 0.87 | ACAT2 (0.38) | ACAT2PARP1TDO2EGFRIGF1R | |
| SCHEMBL17757295 | 0.87 | ACAT2 (0.38) | ACAT2PARP1MAOAMAPTCHRM3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016075137-A1 | SPIROPYRAZINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH | Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) | 2016-05-19 | — | — | WO | disclosed |