Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.34 |
| ▸ | NOTCH1 | P46531 | 1/20 | 0.34 |
| ▸ | RBPJ | Q06330 | 1/20 | 0.34 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL6179349 | 0.87 | ICMT (0.34) | ALDH1A1MAPTNOTCH1RBPJTLR8 | |
| SCHEMBL6180436 | 0.86 | PARP1 (0.41) | ALDH1A1MAPTL3MBTL1TLR8CA2 | |
| SCHEMBL6178151 | 0.84 | BRS3 (0.36) | ALDH1A1KDM4EMAPTCA2CYP3A4 | |
| SCHEMBL6176361 | 0.84 | TSHR (0.40) | ALDH1A1KDM4EMAPTTLR8LMNA | |
| SCHEMBL6170746 | 0.81 | BRS3 (0.38) | TDP1 | |
| SCHEMBL6179839 | 0.79 | HRH3 (0.34) | ALDH1A1KDM4EHPGDMAPTL3MBTL1 | |
| SCHEMBL6176428 | 0.78 | KDM4E (0.39) | ALDH1A1KDM4EHPGDMAPTL3MBTL1 | |
| SCHEMBL6181565 | 0.78 | PARP1 (0.38) | ALDH1A1KDM4EHPGDLMNACA2 | |
| SCHEMBL6168308 | 0.77 | CA2 (0.37) | ALDH1A1KDM4ELMNACA2CYP3A4 | |
| SCHEMBL6180903 | 0.77 | ICMT (0.38) | ALDH1A1MAPTTLR8CNR2AKR1C3 |
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 |