Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1G | O43497 | 5/20 | 0.61 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | GSK3B | P49841 | 2/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7425000 | 0.87 | DRD4 (0.51) | CACNA1GALDH1A1LMNAMAPTTSHR | |
| SCHEMBL7427115 | 0.82 | HRH3 (0.57) | CACNA1GKCNH2ALDH1A1GSK3B | |
| SCHEMBL7421852 | 0.81 | HRH3 (0.59) | CACNA1GKCNH2ALDH1A1GSK3B | |
| SCHEMBL10055070 | 0.79 | CACNA1G (0.53) | CACNA1GKCNH2ALDH1A1GSK3BKMT2A | |
| SCHEMBL27543701 | 0.79 | MAPT (0.47) | ALDH1A1LMNAMAPTPDK2TSHR | |
| Maleic Acid SCHEMBL7424004 | 0.79 | CACNA1G (0.52) | CACNA1GKCNH2ALDH1A1GSK3B | |
| Fumaric Acid SCHEMBL7424008 | 0.79 | CACNA1G (0.52) | CACNA1GKCNH2ALDH1A1GSK3B | |
| SCHEMBL14825126 | 0.78 | CACNA1G (0.59) | CACNA1GKCNH2LMNAMAPK1HTT | |
| SCHEMBL27543703 | 0.77 | DRD4 (0.55) | ALDH1A1LMNAMAPTDRD2DRD4 | |
| SCHEMBL347925 | 0.76 | CACNA1G (0.55) | CACNA1GKCNH2ALDH1A1GSK3B |
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-1003748-A2 | PYRROLOPYRROLONE DERIVATIVES AS INHIBITORS OF NEUTROPHIL ELASTASE | GLAXO GROUP LIMITED (GB) | 2000-05-31 | — | — | EP | disclosed |
| WO-1999012933-A2 | PYRROLOPYRROLONE DERIVATIVES AS INHIBITORS OF NEUTROPHIL ELASTASE | GLAXO GROUP LIMITED (GB) | 1999-03-18 | — | — | WO | disclosed |