Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | PDE5A | O76074 | 1/20 | 0.41 |
| ▸ | PDE1A | P54750 | 1/20 | 0.41 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.41 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.41 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.41 |
| ▸ | RARB | P10826 | 2/20 | 0.41 |
| ▸ | ADH5 | P11766 | 1/20 | 0.40 |
| ▸ | KMO | O15229 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | RARG | P13631 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2645918 | 0.81 | ALDH1A1 (0.45) | ALDH1A1PARP1PDE5APDE1APDE1B | |
| SCHEMBL15059204 | 0.80 | GRIK1 (0.46) | ALDH1A1PARP1PDE5APDE1APDE1B | |
| SCHEMBL4504146 | 0.80 | ALDH1A1 (0.46) | ALDH1A1PARP1PDE5APDE1APDE1B | |
| SCHEMBL18603181 | 0.80 | NOTUM (0.50) | ALDH1A1PDE5APDE1APDE1BPDE4D | |
| SCHEMBL2645921 | 0.80 | PARP1 (0.45) | ALDH1A1PARP1PDE5APDE1APDE1B | |
| SCHEMBL8295573 | 0.80 | NOTUM (0.50) | ALDH1A1PDE5APDE1APDE1BPDE4D | |
| SCHEMBL18603164 | 0.80 | NOTUM (0.50) | ALDH1A1PARP1PDE5APDE1APDE1B | |
| Hydrochloric Acid SCHEMBL4512162 | 0.79 | ALDH1A1 (0.45) | ALDH1A1PARP1PDE5APDE1APDE1B | |
| SCHEMBL3743779 | 0.78 | ALDH1A1 (0.56) | ALDH1A1PARP1RARBADH5RARG | |
| SCHEMBL481019 | 0.78 | BRD4 (0.49) | ALDH1A1PARP1PDE5APDE1APDE1B |
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-2012058203-A1 | DIAZENIUMDIOLATE HETEROCYCLIC DERIVATIVES | MERCK SHARP & DOHME CORP. (US) | 2012-05-03 | — | — | WO | disclosed |