Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27484337 | 0.87 | PARP1 (0.35) | PARP1CYP2C19ALOX15HTTALDH1A1 | |
| SCHEMBL27539422 | 0.85 | HCAR3 (0.38) | PARP1MAPTSMN1; SMN2MAPK1HTT | |
| SCHEMBL27500363 | 0.83 | PDGFRB (0.38) | PARP1MAPTSMN1; SMN2CYP2C19ALOX15 | |
| SCHEMBL27520362 | 0.83 | SNCA (0.40) | PARP1MAPTSMN1; SMN2CYP2C19ALOX15 | |
| SCHEMBL27554338 | 0.83 | ALDH1A1 (0.36) | PARP1ALDH1A1 | |
| SCHEMBL27499148 | 0.82 | CTSD (0.36) | PARP1MAPTCYP2C19HTTALDH1A1 | |
| SCHEMBL27486075 | 0.81 | ALDH1A1 (0.46) | PARP1MAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL27498854 | 0.81 | ALDH1A1 (0.35) | PARP1SMN1; SMN2CYP2C19HTTALDH1A1 | |
| SCHEMBL27485132 | 0.77 | PARP1 (0.37) | PARP1SMN1; SMN2CYP2C19HTTALDH1A1 | |
| SCHEMBL28742589 | 0.77 | HCAR3 (0.39) | MAPTSMN1; SMN2MAPK1HTTALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1195522-C | Benzodiazepine derivatives usable as parental metabolic glutamate receptor antagonist | HOFFMANN LA ROCHE (CH) | 2005-04-06 | — | — | CN | disclosed |
| CN-1379765-A | Benzodiazepine derivatives usable as parental metabolic glutamate receptor antagonist | HOFFMANN LA ROCHE (CH) | 2002-11-13 | — | — | CN | disclosed |