Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 7/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8939924 | 0.83 | PARP1 (0.52) | PARP1TDP1MAPTKDM4EALDH1A1 | |
| SCHEMBL7439696 | 0.81 | PARP1 (0.51) | PARP1TDP1ALDH1A1MAOAMAOB | |
| SCHEMBL8939961 | 0.81 | PARP1 (0.76) | PARP1TDP1MAPTKDM4EALDH1A1 | |
| SCHEMBL7126040 | 0.79 | PARP1 (0.49) | PARP1TDP1KDM4EALDH1A1GAA | |
| SCHEMBL10806946 | 0.79 | PARP1 (0.49) | PARP1TDP1MAPTKDM4EALDH1A1 | |
| SCHEMBL10814991 | 0.78 | BRD4 (0.48) | PARP1TDP1 | |
| SCHEMBL10805151 | 0.77 | PARP1 (0.50) | PARP1TDP1 | |
| SCHEMBL9867744 | 0.77 | PARP1 (0.47) | PARP1TDP1 | |
| SCHEMBL9822840 | 0.76 | PARP1 (0.46) | PARP1TDP1KDM4EGLA | |
| SCHEMBL10805415 | 0.75 | PARP1 (0.45) | PARP1TDP1GAA |
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 |
|---|---|---|---|---|---|---|---|
| US-5006570-A | Dihydrobenzofuran- and chroman-carboxamide derivatives, processes for the preparation thereof and use thereof as neuroleptics | LABORATOIRES DELAGRANGE (FR) | 1991-04-09 | — | — | US | disclosed |