Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CCR1 | P32246 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.34 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.34 |
| ▸ | TACR1 | P25103 | 2/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | CACNA1H | O95180 | 2/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.33 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18921274 | 1.00 | TRPA1 (0.34) | TRPA1ALDH1A1CCR1CYP1A2CYP3A4 | |
| SCHEMBL18921276 | 1.00 | TRPA1 (0.34) | TRPA1ALDH1A1CCR1CYP1A2CYP3A4 | |
| SCHEMBL18921520 | 1.00 | TRPA1 (0.34) | TRPA1ALDH1A1CCR1CYP1A2CYP3A4 | |
| SCHEMBL20580157 | 0.87 | ALDH1A1 (0.42) | TRPA1ALDH1A1CCR1CYP1A2CYP3A4 | |
| SCHEMBL20580221 | 0.87 | ALDH1A1 (0.42) | TRPA1ALDH1A1CCR1CYP1A2CYP3A4 | |
| SCHEMBL22210916 | 0.85 | USP30 (0.38) | CYP3A4DPP4DPP9DPP7RIPK1 | |
| SCHEMBL20580693 | 0.85 | USP30 (0.38) | CYP3A4DPP4DPP9DPP7RIPK1 | |
| SCHEMBL22210917 | 0.85 | USP30 (0.38) | CYP3A4DPP4DPP9DPP7RIPK1 | |
| SCHEMBL20580735 | 0.84 | RIPK1 (0.34) | RIPK1 | |
| SCHEMBL22210975 | 0.84 | RIPK1 (0.34) | RIPK1 |
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-108602809-B | Isoxazolidine derived inhibitors of receptor interacting protein kinase 1(RIPK 1) | 戴纳立制药公司 | 2022-09-30 | — | — | CN | disclosed |