Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.30 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.30 |
| ▸ | IDH1 | O75874 | 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 | |
|---|---|---|---|---|
| SCHEMBL21046810 | 1.00 | HTR3A (0.37) | HTR3APARP1MAPTPKMPTGS1 | |
| SCHEMBL31553890 | 0.81 | PARP1 (0.51) | PARP1 | |
| SCHEMBL29469917 | 0.81 | NPSR1 (0.36) | PARP1MAPT | |
| SCHEMBL743679 | 0.81 | NPSR1 (0.36) | PARP1MAPT | |
| SCHEMBL31172543 | 0.79 | PTGS1 (0.34) | PARP1MAPTPTGS1PTGS2CYP2A6 | |
| SCHEMBL31535705 | 0.79 | CYP2A6 (0.39) | PARP1MAPTTRPV4CYP2A6 | |
| SCHEMBL31172611 | 0.78 | MAPT (0.36) | PARP1MAPTTRPV4 | |
| SCHEMBL3117995 | 0.74 | PARP1 (0.49) | PARP1IDH1 | |
| SCHEMBL29797722 | 0.74 | HTR3A (0.39) | HTR3APARP1 | |
| SCHEMBL4859405 | 0.72 | PTGS2 (0.48) | PARP1PTGS1PTGS2 |
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-109790122-B | Heterocyclic compounds | 武田药品工业株式会社 | 2022-06-24 | — | — | CN | disclosed |