Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.32 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.32 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.31 |
| ▸ | PDE9A | O76083 | 3/20 | 0.31 |
| ▸ | CTSA | P10619 | 1/20 | 0.31 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.30 |
| ▸ | HTR2B | P41595 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4739384 | 0.92 | PARP1 (0.35) | PARP1ALDH1A1HSD17B10PKMPDE9A | |
| SCHEMBL4664629 | 0.79 | ALDH1A1 (0.41) | PARP1ALDH1A1HSD17B10PKMALOX15 | |
| SCHEMBL4664836 | 0.78 | PARP1 (0.35) | PARP1ALDH1A1HSD17B10PKMALOX15 | |
| SCHEMBL4963781 | 0.72 | CTNNB1 (0.35) | ALDH1A1HSD17B10BRD4 | |
| SCHEMBL4738308 | 0.71 | CYP1A2 (0.31) | ALDH1A1 | |
| SCHEMBL5666743 | 0.68 | ALDH1A1 (0.34) | PARP1ALDH1A1HSD17B10PKMALOX15 | |
| SCHEMBL4664618 | 0.67 | KMT2A (0.35) | ALDH1A1BRD4 | |
| Dimethylamine SCHEMBL5666747 | 0.67 | PARP1 (0.35) | PARP1ALDH1A1HSD17B10PKMALOX15 | |
| SCHEMBL4962044 | 0.66 | CTSA (0.33) | ALDH1A1HSD17B10CTSA | |
| SCHEMBL4965043 | 0.66 | CTSA (0.33) | ALDH1A1HSD17B10CTSA |
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-2008074858-A1 | INTERMEDIATES AND PROCESS FOR THE PRODUCTION OF 5-SUBSTITUTED TRICYCLIC BENZIMIDAZOLES | NYCOMED GMBH (DE) | 2008-06-26 | — | — | WO | disclosed |