Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.49 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.46 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.46 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA4 | P22748 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | KLK7 | P49862 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8571009 | 1.00 | PARP1 (0.49) | PARP1NR1H2NR1H3AGTR2CA1 | |
| SCHEMBL8238395 | 0.88 | NR1H2 (0.43) | PARP1NR1H2NR1H3AGTR2CA1 | |
| SCHEMBL28549464 | 0.87 | PARP1 (0.46) | PARP1NR1H2NR1H3AGTR2OPRD1 | |
| SCHEMBL12780700 | 0.86 | SIGMAR1 (0.52) | PARP1NR1H2NR1H3AGTR2CA1 | |
| SCHEMBL8448438 | 0.86 | NR1H2 (0.58) | PARP1NR1H2NR1H3AGTR2CA1 | |
| SCHEMBL8240100 | 0.86 | SIGMAR1 (0.52) | PARP1NR1H2NR1H3AGTR2CA1 | |
| SCHEMBL6975745 | 0.86 | NR1H2 (0.48) | PARP1NR1H2NR1H3AGTR2CA1 | |
| SCHEMBL6099695 | 0.86 | NR1H2 (0.58) | PARP1NR1H2NR1H3AGTR2CA1 | |
| SCHEMBL6975743 | 0.86 | NR1H2 (0.48) | PARP1NR1H2NR1H3AGTR2CA1 | |
| SCHEMBL26915001 | 0.85 | NR1H2 (0.48) | PARP1NR1H2NR1H3AGTR2CA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5736539-A | ANITCARCINOGENIC AGENTS | MERCK & CO., INC. (US) | 1998-04-07 | — | — | US | disclosed |
| WO-1995000497-A1 | INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE | MERCK & CO., INC. (US) | 1995-01-05 | — | — | WO | disclosed |