Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.41 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.40 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.40 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.40 |
| ▸ | ICMT | O60725 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.38 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.37 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | SLC9A1 | P19634 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6180925 | 0.87 | PARP1 (0.42) | GRM2PTPN1ALOX5ALDH1A1HSD17B10 | |
| SCHEMBL6180903 | 0.86 | ICMT (0.38) | AKR1C3AKR1C2ICMTCNR2TLR8 | |
| SCHEMBL6179821 | 0.82 | ICMT (0.39) | ICMTCNR2TLR8SLC9A1MAPK1 | |
| SCHEMBL6175833 | 0.80 | CYP11B1 (0.39) | CNR1CNR2TLR8PPARALMNA | |
| SCHEMBL6176361 | 0.80 | TSHR (0.40) | ICMTCNR1CNR2TLR8PPARG | |
| SCHEMBL6181565 | 0.78 | PARP1 (0.38) | ALDH1A1LMNATP53 | |
| SCHEMBL6169791 | 0.76 | MEN1 (0.35) | MAPTHSD17B10 | |
| SCHEMBL6179349 | 0.76 | ICMT (0.34) | ICMTCNR2TLR8ALDH1A1MAPT | |
| SCHEMBL6177849 | 0.75 | SCN9A (0.35) | AKR1C3AKR1C2CNR2TLR8ALDH1A1 | |
| SCHEMBL6180436 | 0.75 | PARP1 (0.41) | CNR2TLR8ALDH1A1MAPTTAS1R3 |
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 |