Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 5/20 | 0.37 |
| ▸ | CA1 | P00915 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 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 | |
|---|---|---|---|---|
| SCHEMBL6171867 | 0.84 | CA2 (0.36) | CA2CA1NR1I2ALDH1A1CYP3A4 | |
| SCHEMBL6179349 | 0.83 | ICMT (0.34) | CA2CA1ALDH1A1CYP3A4MAPK1 | |
| SCHEMBL6179839 | 0.82 | HRH3 (0.34) | CA2CA1ALDH1A1KDM4E | |
| SCHEMBL6170096 | 0.81 | L3MBTL1 (0.40) | CA2CA1LMNAALDH1A1MAPK1 | |
| SCHEMBL6170012 | 0.81 | NR1I2 (0.35) | CA2CA1NR1I2 | |
| SCHEMBL6178151 | 0.80 | BRS3 (0.36) | CA2ALDH1A1CYP3A4KDM4EMAPK1 | |
| SCHEMBL6181565 | 0.78 | PARP1 (0.38) | CA2CA1LMNAALDH1A1KDM4E | |
| SCHEMBL6180903 | 0.78 | ICMT (0.38) | ALDH1A1 | |
| SCHEMBL6177849 | 0.77 | SCN9A (0.35) | CA2LMNAALDH1A1CYP3A4KDM4E | |
| SCHEMBL6180436 | 0.77 | PARP1 (0.41) | CA2CA1ALDH1A1CYP3A4 |
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 |