Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | GRIN2D | O15399 | 3/20 | 0.50 |
| ▸ | GRIN3B | O60391 | 3/20 | 0.50 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.50 |
| ▸ | GRIN2A | Q12879 | 3/20 | 0.50 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.50 |
| ▸ | GRIN2C | Q14957 | 3/20 | 0.50 |
| ▸ | GRIN3A | Q8TCU5 | 3/20 | 0.50 |
| ▸ | PTGES | O14684 | 1/20 | 0.49 |
| ▸ | CDC25A | P30304 | 1/20 | 0.48 |
| ▸ | CDC25C | P30307 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | GLA | P06280 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Propionic Acid SCHEMBL4166119 | 0.88 | PARP1 (0.49) | PARP1ALDH1A1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL9384092 | 0.77 | PARP1 (1.00) | PARP1ALDH1A1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL14566746 | 0.77 | PARP1 (0.85) | PARP1ALDH1A1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL30577697 | 0.76 | PARP1 (0.52) | PARP1ALDH1A1PTGESKDM4EHPGD | |
| SCHEMBL30577722 | 0.76 | CYP2C9 (0.44) | PARP1ALDH1A1PTGESKDM4EHPGD | |
| SCHEMBL2552450 | 0.75 | KDM4E (0.59) | PARP1ALDH1A1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL30577488 | 0.75 | KDM4E (0.59) | PARP1ALDH1A1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL8874832 | 0.74 | PARP1 (0.75) | PARP1ALDH1A1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL4717883 | 0.74 | GRIN2D (0.37) | PARP1ALDH1A1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL3505223 | 0.73 | ALDH1A1 (0.54) | PARP1ALDH1A1GRIN2DGRIN3BGRIN1 |
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-1899335-A1 | PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS | PIERRE FABRE MEDICAMENT (FR) | 2008-03-19 | — | — | EP | disclosed |
| WO-2007003611-A1 | PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS | PIERRE FABRE MEDICAMENT (FR) | 2007-01-11 | — | — | WO | disclosed |