Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 2/20 | 0.46 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 4/20 | 0.41 |
| ▸ | CA2 | P00918 | 4/20 | 0.41 |
| ▸ | CA4 | P22748 | 4/20 | 0.41 |
| ▸ | CA9 | Q16790 | 4/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | DPP4 | P27487 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | NPFFR1 | Q9GZQ6 | 1/20 | 0.39 |
| ▸ | NPFFR2 | Q9Y5X5 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 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 | |
|---|---|---|---|---|
| SCHEMBL2014083 | 0.90 | NR1H2 (0.46) | NR1H2NR1H3PARP1AGTR2CA1 | |
| SCHEMBL4710046 | 0.90 | NR1H2 (0.46) | NR1H2NR1H3PARP1AGTR2CA1 | |
| SCHEMBL8229985 | 0.90 | NR1H2 (0.46) | NR1H2NR1H3PARP1AGTR2CA1 | |
| SCHEMBL8240100 | 0.86 | SIGMAR1 (0.52) | NR1H2NR1H3PARP1AGTR2CA1 | |
| SCHEMBL8448438 | 0.86 | NR1H2 (0.58) | NR1H2NR1H3PARP1AGTR2CA1 | |
| SCHEMBL6975745 | 0.86 | NR1H2 (0.48) | NR1H2NR1H3PARP1AGTR2CA1 | |
| SCHEMBL12780700 | 0.86 | SIGMAR1 (0.52) | NR1H2NR1H3PARP1AGTR2CA1 | |
| SCHEMBL6099695 | 0.86 | NR1H2 (0.58) | NR1H2NR1H3PARP1AGTR2CA1 | |
| SCHEMBL6975743 | 0.86 | NR1H2 (0.48) | NR1H2NR1H3PARP1AGTR2CA1 | |
| SCHEMBL5557489 | 0.86 | MEN1 (0.44) | NR1H2NR1H3PARP1AGTR2CA1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117222646-A | KRAS G12C inhibitors and uses thereof | 苏州赞荣医药科技有限公司 | 2023-12-12 | — | — | CN | disclosed |