Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.58 |
| ▸ | NR3C2 | P08235 | 3/20 | 0.56 |
| ▸ | DRD2 | P14416 | 4/20 | 0.48 |
| ▸ | DRD4 | P21917 | 3/20 | 0.48 |
| ▸ | DRD3 | P35462 | 2/20 | 0.48 |
| ▸ | MMP12 | P39900 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 5/20 | 0.44 |
| ▸ | HTR1D | P28221 | 4/20 | 0.44 |
| ▸ | HTR1B | P28222 | 4/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.44 |
| ▸ | HTR2A | P28223 | 2/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11002313 | 0.85 | PARP1 (0.77) | PARP1NR3C2DRD2DRD4DRD3 | |
| SCHEMBL4272979 | 0.84 | PARP1 (0.73) | PARP1NR3C2DRD2DRD4DRD3 | |
| SCHEMBL4263455 | 0.80 | PARP1 (0.60) | PARP1NR3C2DRD2DRD4DRD3 | |
| SCHEMBL20614334 | 0.80 | MMP12 (0.65) | PARP1NR3C2DRD2DRD4DRD3 | |
| SCHEMBL7132 | 0.80 | NR3C2 (0.72) | PARP1NR3C2DRD2DRD4DRD3 | |
| SCHEMBL4257167 | 0.79 | PARP1 (0.70) | PARP1NR3C2DRD2DRD4DRD3 | |
| SCHEMBL4273023 | 0.79 | PARP1 (0.56) | PARP1NR3C2DRD2DRD4DRD3 | |
| SCHEMBL4259329 | 0.79 | PARP1 (0.65) | PARP1NR3C2DRD2DRD4DRD3 | |
| SCHEMBL11006154 | 0.78 | PARP1 (0.70) | PARP1NR3C2DRD2DRD4DRD3 | |
| SCHEMBL11004751 | 0.78 | PARP1 (0.70) | PARP1NR3C2DRD2DRD4DRD3 |
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-2009145360-A1 | BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR | R-TECH UENO, LTD. (JP) | 2009-12-03 | — | — | WO | disclosed |