Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 7/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | TYMS | P04818 | 2/20 | 0.36 |
| ▸ | IDH1 | O75874 | 4/20 | 0.35 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.34 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.34 |
| ▸ | PIM1 | P11309 | 1/20 | 0.34 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.34 |
| ▸ | CDK4 | P11802 | 1/20 | 0.33 |
| ▸ | CCND1 | P24385 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29561211 | 1.00 | PARP1 (0.39) | PARP1MAPK1GAATYMSIDH1 | |
| SCHEMBL22866409 | 0.85 | MAPK1 (0.39) | PARP1MAPK1GAATYMSALDH1A1 | |
| SCHEMBL29559852 | 0.85 | MAPK1 (0.39) | PARP1MAPK1GAATYMSALDH1A1 | |
| SCHEMBL22866406 | 0.78 | PARP1 (0.42) | PARP1MAPK1TYMSPIM1PIM2 | |
| SCHEMBL29559956 | 0.78 | PARP1 (0.42) | PARP1MAPK1TYMSPIM1PIM2 | |
| SCHEMBL22866745 | 0.75 | PARP1 (0.47) | PARP1GAATYMSALDH1A1KDM4E | |
| SCHEMBL29559925 | 0.75 | PARP1 (0.47) | PARP1GAATYMSALDH1A1KDM4E | |
| SCHEMBL23900415 | 0.71 | MAPK1 (0.56) | MAPK1GAAIDH1ALDH1A1KDM4E | |
| SCHEMBL22866432 | 0.71 | GAA (0.45) | PARP1MAPK1GAATYMSPIM1 | |
| SCHEMBL29559893 | 0.71 | GAA (0.45) | PARP1MAPK1GAATYMSPIM1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021003157-A1 | EIF4E-INHIBITING 4-OXO-3,4-DIHYDROPYRIDO[3,4-D]PYRIMIDINE COMPOUNDS | EFFECTOR THERAPEUTICS, INC. (US) | 2021-01-07 | — | — | WO | disclosed |