Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ICMT | O60725 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.32 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | BRS3 | P32247 | 1/20 | 0.31 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.31 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.31 |
| ▸ | NOTCH1 | P46531 | 1/20 | 0.31 |
| ▸ | RBPJ | Q06330 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6177849 | 0.87 | SCN9A (0.35) | ALDH1A1CA2CYP3A4MAPTTLR8 | |
| SCHEMBL6180436 | 0.87 | PARP1 (0.41) | ALDH1A1CA2CYP3A4MAPTTLR8 | |
| SCHEMBL6178151 | 0.85 | BRS3 (0.36) | ALDH1A1CA2CYP3A4MAPTBRS3 | |
| SCHEMBL6176361 | 0.85 | TSHR (0.40) | ICMTALDH1A1CYP3A4MAPTTLR8 | |
| SCHEMBL6168308 | 0.83 | CA2 (0.37) | ALDH1A1CA2CYP3A4CA1MAPK1 | |
| SCHEMBL6179839 | 0.82 | HRH3 (0.34) | ICMTALDH1A1CA2MAPTCA1 | |
| SCHEMBL6170746 | 0.81 | BRS3 (0.38) | BRS3PARP1 | |
| SCHEMBL6180903 | 0.81 | ICMT (0.38) | ICMTALDH1A1MAPTTLR8CNR2 | |
| SCHEMBL6176428 | 0.79 | KDM4E (0.39) | ALDH1A1MAPTSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6181565 | 0.79 | PARP1 (0.38) | ALDH1A1CA2CA1BRS3SLC6A2 |
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 |