Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | DRD2 | P14416 | 4/20 | 0.40 |
| ▸ | DRD1 | P21728 | 4/20 | 0.40 |
| ▸ | DRD4 | P21917 | 4/20 | 0.40 |
| ▸ | DRD5 | P21918 | 4/20 | 0.40 |
| ▸ | DRD3 | P35462 | 4/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9743611 | 0.90 | PARP1 (0.46) | PARP1ALDH1A1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL9740223 | 0.85 | CHRM5 (0.48) | PARP1ALDH1A1KDM4ECYP3A4HPGD | |
| SCHEMBL9742140 | 0.84 | CHRM5 (0.49) | PARP1SIGMAR1 | |
| SCHEMBL9743467 | 0.84 | PARP1 (0.43) | PARP1KDM4ECYP1A2CYP3A4CYP2C9 | |
| SCHEMBL9742083 | 0.83 | CHRM5 (0.43) | PARP1TDP1ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL9742113 | 0.83 | CHRM5 (0.43) | PARP1SIGMAR1 | |
| SCHEMBL9741279 | 0.81 | PARK7 (0.43) | MAPTGRIN1GRIN2AHSD11B1 | |
| SCHEMBL9743436 | 0.81 | GRIN1 (0.39) | CYP1A2CYP2C9CYP2C19MAPTGRIN1 | |
| SCHEMBL9743475 | 0.76 | CHRM5 (0.45) | PARP1TDP1ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL9743423 | 0.76 | PARP1 (0.43) | PARP1MAPTGRIN1GRIN2ASIGMAR1 |
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-1992016529-A1 | NOVEL ISOINDOLE DERIVATIVES AND MEDICAMENTS CONTAINING THEM | BOEHRINGER MANNHEIM GMBH (DE) | 1992-10-01 | — | — | WO | disclosed |