Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 5/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.42 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.41 |
| ▸ | CCR1 | P32246 | 3/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.41 |
| ▸ | GPR6 | P46095 | 1/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2854667 | 0.85 | ALDH1A1 (0.55) | ALDH1A1HSP90AA1NPSR1MAPK1MAPT | |
| SCHEMBL17098940 | 0.81 | C5AR1 (0.36) | ALDH1A1HSP90AA1NPSR1MAPK1KDM4E | |
| SCHEMBL17098942 | 0.81 | C5AR1 (0.36) | ALDH1A1HSP90AA1NPSR1MAPK1KDM4E | |
| SCHEMBL2854321 | 0.81 | MAPT (0.53) | ALDH1A1HSP90AA1NPSR1MAPK1MAPT | |
| SCHEMBL2853095 | 0.79 | ALDH1A1 (0.58) | ALDH1A1HSP90AA1NPSR1MAPK1MAPT | |
| SCHEMBL2862087 | 0.79 | MAPT (0.51) | ALDH1A1HSP90AA1NPSR1MAPK1MAPT | |
| SCHEMBL2850211 | 0.77 | MAPT (0.49) | ALDH1A1HSP90AA1NPSR1MAPK1MAPT | |
| SCHEMBL2852819 | 0.77 | CCR1 (0.57) | ALDH1A1HSP90AA1NPSR1MAPK1MAPT | |
| SCHEMBL2852358 | 0.76 | ALDH1A1 (0.48) | ALDH1A1HSP90AA1NPSR1MAPK1MAPT | |
| SCHEMBL2856206 | 0.76 | ALDH1A1 (0.48) | ALDH1A1HSP90AA1NPSR1MAPK1MAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1451160-B1 | PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN | ICAGEN INC (US) | 2010-01-13 | — | — | EP | disclosed |