Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | CCKAR | P32238 | 1/20 | 0.34 |
| ▸ | CCKBR | P32239 | 1/20 | 0.34 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.33 |
| ▸ | GNRHR | P30968 | 1/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | MMP3 | P08254 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | GCGR | P47871 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.31 |
| ▸ | TAS1R1 | Q7RTX1 | 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) | PARP1TLR8ALDH1A1CA2CYP3A4 | |
| SCHEMBL6177849 | 0.86 | SCN9A (0.35) | TLR8ALDH1A1CA2CYP3A4CNR2 | |
| SCHEMBL6178151 | 0.84 | BRS3 (0.36) | PARP1ALDH1A1CA2CYP3A4CNR2 | |
| SCHEMBL6176361 | 0.84 | TSHR (0.40) | TLR8ALDH1A1CYP3A4CNR2MAPT | |
| SCHEMBL6181565 | 0.82 | PARP1 (0.38) | PARP1MMP2MMP3ALDH1A1CA2 | |
| SCHEMBL6170746 | 0.81 | BRS3 (0.38) | PARP1 | |
| SCHEMBL6179839 | 0.79 | HRH3 (0.34) | ALDH1A1CA2MAPTGCGRL3MBTL1 | |
| SCHEMBL6176428 | 0.78 | KDM4E (0.39) | ALDH1A1HDAC2MAPTADORA2AADORA1 | |
| SCHEMBL6179821 | 0.78 | ICMT (0.39) | TLR8MMP2MMP3CNR2GCGR | |
| SCHEMBL6168308 | 0.77 | CA2 (0.37) | ALDH1A1CA2CYP3A4CA1 |
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 |