Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.33 |
| ▸ | RELA | Q04206 | 2/20 | 0.33 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL16774517 | 1.00 | MAPK1 (0.39) | MAPK1GAAKDM4ECYP1A2CYP2D6 | |
| SCHEMBL6967198 | 0.86 | MAPK1 (0.33) | MAPK1GAAKDM4ECYP1A2CYP2D6 | |
| SCHEMBL14882598 | 0.82 | MAPK1 (0.37) | MAPK1GAANFKB1NFKB2RELA | |
| SCHEMBL15606427 | 0.82 | MAPK1 (0.37) | MAPK1GAANFKB1NFKB2RELA | |
| SCHEMBL202780 | 0.81 | ALDH1A1 (0.48) | GAAKDM4ECYP1A2CYP2D6CYP2C9 | |
| SCHEMBL202781 | 0.81 | ALDH1A1 (0.48) | GAAKDM4ECYP1A2CYP2D6CYP2C9 | |
| SCHEMBL15219796 | 0.80 | MAPK1 (0.35) | MAPK1GAAKDM4ECYP1A2CYP2D6 | |
| SCHEMBL157124 | 0.80 | MAPK1 (0.36) | MAPK1GAANFKB1NFKB2RELA | |
| SCHEMBL14831957 | 0.77 | MAPK1 (0.43) | MAPK1GAAKDM4ECYP1A2CYP2D6 | |
| SCHEMBL22380764 | 0.77 | EGLN1 (0.35) | HSD17B10ALDH1A1EGLN1GRIA2 |
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-2883876-A1 | Stereoselective synthesis of substituted pyrrolidines | Actelion Pharmaceuticals Ltd. (CH) | 2015-06-17 | — | — | EP | disclosed |