Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | ICMT | O60725 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.32 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.32 |
| ▸ | BRS3 | P32247 | 2/20 | 0.31 |
| ▸ | PLAU | P00749 | 1/20 | 0.31 |
| ▸ | HPN | P05981 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | PTGES | O14684 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | PPARA | Q07869 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL6181565 | 0.89 | PARP1 (0.38) | CA1CA2BRS3KDM4EMEN1 | |
| SCHEMBL6178151 | 0.89 | BRS3 (0.36) | CA2BRS3KDM4EMEN1ALDH1A1 | |
| SCHEMBL6180925 | 0.87 | PARP1 (0.42) | KDM4EALOX5ALDH1A1GAAHPGD | |
| SCHEMBL6180903 | 0.86 | ICMT (0.38) | ICMTALOX5PPARGPPARAALDH1A1 | |
| SCHEMBL6169791 | 0.82 | MEN1 (0.35) | CA1CA2KDM4EMEN1MAPT | |
| SCHEMBL6179349 | 0.82 | ICMT (0.34) | ICMTCA1CA2BRS3MEN1 | |
| SCHEMBL6168308 | 0.82 | CA2 (0.37) | CA1CA2KDM4EALDH1A1 | |
| SCHEMBL6175833 | 0.81 | CYP11B1 (0.39) | KDM4EPPARAHPGDKMT2AL3MBTL1 | |
| SCHEMBL6178688 | 0.79 | AKR1C3 (0.41) | ICMTALOX5PPARGPPARAALDH1A1 | |
| SCHEMBL6177849 | 0.79 | SCN9A (0.35) | CA2KDM4EALDH1A1GAAMAPT |
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-1542999-A1 | 1H-PYRAZOLE AND 1H-PYRROLE-AZABICYCLIC COMPOUNDS WITH ALFA-7 NACHR ACTIVITY | Pharmacia & Upjohn Company LLC (US) | 2005-06-22 | — | — | EP | disclosed |
| WO-2004013137-A1 | 1H-PYRAZOLE AND 1H-PYRROLE-AZABICYCLIC COMPOUNDS WITH ALFA-7 NACHR ACTIVITY | PHARMACIA & UPJOHN COMPANY LLC (US) | 2004-02-12 | — | — | WO | disclosed |