Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 2/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.39 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | F2 | P00734 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | DHPS | P49366 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | MKNK1 | Q9BUB5 | 5/20 | 0.36 |
| ▸ | MKNK2 | Q9HBH9 | 5/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6178151 | 0.87 | BRS3 (0.36) | KMT2ACYP3A4CNR2KDM4EPOLB | |
| SCHEMBL6180903 | 0.82 | ICMT (0.38) | TLR8PPARACNR2 | |
| SCHEMBL6179839 | 0.81 | HRH3 (0.34) | HPGDKMT2AL3MBTL1PPARAKDM4E | |
| SCHEMBL6169791 | 0.81 | MEN1 (0.35) | KMT2ACTSKKDM4E | |
| SCHEMBL6181565 | 0.81 | PARP1 (0.38) | HPGDKMT2AKDM4ELMNA | |
| SCHEMBL6178688 | 0.80 | AKR1C3 (0.41) | TLR8L3MBTL1PPARACNR1CNR2 | |
| SCHEMBL6180925 | 0.79 | PARP1 (0.42) | HPGDKDM4EPOLB | |
| SCHEMBL6179821 | 0.78 | ICMT (0.39) | TLR8CNR2 | |
| SCHEMBL6179349 | 0.78 | ICMT (0.34) | TLR8KMT2ACYP3A4CNR2 | |
| SCHEMBL6177849 | 0.77 | SCN9A (0.35) | TLR8HPGDCYP3A4L3MBTL1CNR2 |
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 |