Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | SLC29A1 | Q99808 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 3/20 | 0.39 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9640454 | 0.91 | PARP1 (0.45) | PARP1SLC29A1GRIN2BHTR6CSNK1A1 | |
| Propionic Acid SCHEMBL9640910 | 0.84 | PARP1 (0.53) | PARP1ALDH1A1HTR6HTR1A | |
| SCHEMBL3334093 | 0.82 | EPHX2 (0.51) | PARP1HTR1A | |
| Hydrochloric Acid SCHEMBL8703350 | 0.81 | EPHX2 (0.50) | PARP1ALDH1A1HTR1A | |
| Water SCHEMBL8415043 | 0.81 | EPHX2 (0.50) | PARP1HTR1A | |
| Hydrochloric Acid SCHEMBL9076651 | 0.80 | PARP1 (0.49) | PARP1ALDH1A1HTR1A | |
| SCHEMBL9639712 | 0.80 | PARP1 (0.46) | PARP1ALDH1A1GRIN2BCSNK1A1L3MBTL1 | |
| SCHEMBL9640078 | 0.80 | PARP1 (0.47) | PARP1ALDH1A1 | |
| Acetic Acid SCHEMBL9639371 | 0.77 | HTR3E (0.53) | PARP1ALDH1A1HTR1A | |
| SCHEMBL9639628 | 0.76 | PARP1 (0.49) | PARP1HTR6HTR1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0496746-A1 | PHARMACEUTICALLY ACTIVE AMINO-SUBSTITUTED HETEROARYL AMINES | THE UPJOHN COMPANY (US) | 1992-08-05 | — | — | EP | disclosed |
| WO-1991006542-A1 | PHARMACEUTICALLY ACTIVE AMINO-SUBSTITUTED HETEROARYL AMINES | THE UPJOHN COMPANY (US) | 1991-05-16 | — | — | WO | disclosed |