Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 4/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.31 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1883790 | 0.89 | ATM (0.46) | HCAR2ATMMAPTALDH1A1LMNA | |
| SCHEMBL1875945 | 0.84 | CASP1 (0.38) | HCAR2MAPTLMNAHTTNR1I2 | |
| SCHEMBL1875946 | 0.84 | CASP1 (0.38) | HCAR2MAPTLMNAHTTNR1I2 | |
| SCHEMBL23203149 | 0.78 | HCAR2 (0.61) | HCAR2ATMMAPTALDH1A1LMNA | |
| SCHEMBL29740315 | 0.74 | HCAR2 (0.40) | HCAR2ATMMAPTALDH1A1CYP3A4 | |
| SCHEMBL375029 | 0.73 | HCAR2 (0.45) | HCAR2ATMALDH1A1LMNAHTT | |
| SCHEMBL43764 | 0.73 | HCAR2 (0.45) | HCAR2ATMALDH1A1LMNAHTT | |
| SCHEMBL43004 | 0.73 | HCAR2 (0.45) | HCAR2ATMALDH1A1LMNAHTT | |
| SCHEMBL3990293 | 0.73 | — | — | |
| SCHEMBL1880635 | 0.73 | TDP1 (0.36) | HCAR2 |
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-115551862-B | Macrocyclic inhibitors of peptidyl arginine deiminase | 吉利德科学公司 | 2024-04-12 | — | — | CN | disclosed |