Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HTR7 | P34969 | 1/20 | 0.34 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.31 |
| ▸ | GCGR | P47871 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP3 | P08254 | 1/20 | 0.31 |
| ▸ | BRS3 | P32247 | 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 | |
|---|---|---|---|---|
| SCHEMBL6179839 | 0.89 | HRH3 (0.34) | HPGDALDH1A1KDM4EMEN1GAA | |
| SCHEMBL6178151 | 0.88 | BRS3 (0.36) | PARP1ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL6180925 | 0.86 | PARP1 (0.42) | PARP1HPGDALDH1A1KDM4EGAA | |
| SCHEMBL6179821 | 0.83 | ICMT (0.39) | GCGRMMP2MMP3TP53 | |
| SCHEMBL6180436 | 0.82 | PARP1 (0.41) | PARP1ALDH1A1CA1CA2GCGR | |
| SCHEMBL6169791 | 0.81 | MEN1 (0.35) | KDM4EMEN1KMT2ACA1CA2 | |
| SCHEMBL6180903 | 0.81 | ICMT (0.38) | ALDH1A1 | |
| SCHEMBL6175833 | 0.81 | CYP11B1 (0.39) | LMNAHPGDKDM4EKMT2A | |
| SCHEMBL6179349 | 0.79 | ICMT (0.34) | PARP1ALDH1A1MEN1KMT2ACA1 | |
| SCHEMBL6168308 | 0.78 | CA2 (0.37) | LMNAALDH1A1KDM4ECA1CA2 |
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 |