Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | TYMS | P04818 | 2/20 | 0.39 |
| ▸ | GAK | O14976 | 1/20 | 0.34 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.34 |
| ▸ | COQ8A | Q8NI60 | 1/20 | 0.34 |
| ▸ | NLK | Q9UBE8 | 1/20 | 0.34 |
| ▸ | CCNC | P24863 | 1/20 | 0.33 |
| ▸ | CDK8 | P49336 | 1/20 | 0.33 |
| ▸ | PTGFR | P43088 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 4/20 | 0.31 |
| ▸ | MTOR | P42345 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
| ▸ | FLT3 | P36888 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20247529 | 0.81 | PARP1 (0.43) | PARP1ALDH1A1PIK3CASMN1; SMN2 | |
| SCHEMBL12880445 | 0.79 | PARP1 (0.39) | PARP1TYMSGAKRIPK2COQ8A | |
| SCHEMBL14452563 | 0.75 | GABRA1 (0.39) | PARP1TYMSGAKRIPK2COQ8A | |
| SCHEMBL23474020 | 0.73 | GPR3 (0.52) | SMN1; SMN2NPC1PDGFRBKDRFLT3 | |
| SCHEMBL14075851 | 0.72 | SMN1; SMN2 (0.51) | PARP1TYMSGAKRIPK2COQ8A | |
| SCHEMBL31355748 | 0.72 | SMN1; SMN2 (0.51) | PARP1TYMSGAKRIPK2COQ8A | |
| SCHEMBL3883306 | 0.71 | SRC (0.42) | PARP1TYMS | |
| SCHEMBL13758124 | 0.69 | TYMS (0.40) | PARP1TYMSPTGFRALDH1A1NPC1 | |
| SCHEMBL6978920 | 0.68 | PARP1 (0.44) | PARP1TYMSGAKRIPK2COQ8A | |
| SCHEMBL4541045 | 0.68 | CCNB2 (0.37) | PARP1TYMSALDH1A1SMN1; SMN2NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2085390-A1 | Labelled analogues of halobenzamides as multimodal radiopharmaceuticals and their precursors | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 2009-08-05 | — | — | EP | disclosed |