Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.48 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.40 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.40 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.39 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.39 |
| ▸ | CSNK1A1 | P48729 | 2/20 | 0.36 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.36 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.36 |
| ▸ | KDM4A | O75164 | 1/20 | 0.36 |
| ▸ | KDM4B | O94953 | 1/20 | 0.36 |
| ▸ | KDM5C | P41229 | 1/20 | 0.36 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.36 |
| ▸ | CTSA | P10619 | 1/20 | 0.36 |
| ▸ | LDHA | P00338 | 1/20 | 0.36 |
| ▸ | LDHB | P07195 | 1/20 | 0.36 |
| ▸ | CDC7 | O00311 | 1/20 | 0.36 |
| ▸ | PLK4 | O00444 | 1/20 | 0.36 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30042190 | 0.84 | BCAT2 (0.53) | PARP1CHEK2BCAT2KEAP1NFE2L2 | |
| SCHEMBL27559308 | 0.84 | BCAT2 (0.53) | PARP1CHEK2BCAT2KEAP1NFE2L2 | |
| SCHEMBL22490735 | 0.82 | PARP1 (0.46) | PARP1CHEK2BCAT2KEAP1NFE2L2 | |
| SCHEMBL31676657 | 0.82 | PARP1 (0.46) | PARP1CHEK2BCAT2KEAP1NFE2L2 | |
| SCHEMBL30471810 | 0.77 | BCAT2 (0.52) | PARP1BCAT2KEAP1NFE2L2PDPK1 | |
| SCHEMBL20723607 | 0.76 | TSHR (0.43) | HCRTR1HCRTR2IDO1 | |
| SCHEMBL2012719 | 0.76 | GRM5 (0.53) | PARP1CHEK2BCAT2KEAP1NFE2L2 | |
| SCHEMBL1933812 | 0.74 | CHEK2 (0.42) | PARP1CHEK2HCRTR1HCRTR2KDM4A | |
| SCHEMBL251448 | 0.74 | PARP1 (0.44) | PARP1CHEK2BCAT2KEAP1NFE2L2 | |
| SCHEMBL21091030 | 0.74 | ADORA2A (0.40) | HCRTR1HCRTR2P2RX7IDO1 |
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-2403835-A1 | NOVEL PHENYL IMIDAZOLES AND PHENYL TRIAZOLES AS GAMMA-SECRETASE MODULATORS | Pfizer Inc. (US) | 2012-01-11 | — | — | EP | disclosed |
| WO-2010100606-A1 | NOVEL PHENYL IMIDAZOLES AND PHENYL TRIAZOLES AS GAMMA-SECRETASE MODULATORS | PFIZER INC. (US) | 2010-09-10 | — | — | WO | disclosed |