Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA2 | Q9HCG7 | 16/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.44 |
| ▸ | GBA1 | P04062 | 8/20 | 0.43 |
| ▸ | UGCG | Q16739 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4540594 | 0.85 | GBA2 (0.45) | GBA2GAAGBA1UGCG | |
| SCHEMBL18976596 | 0.80 | GAA (0.36) | GAA | |
| SCHEMBL21704528 | 0.80 | GAA (0.36) | GAA | |
| SCHEMBL23865666 | 0.80 | GAA (0.36) | GAA | |
| SCHEMBL23865737 | 0.80 | GAA (0.36) | GAA | |
| SCHEMBL24792241 | 0.80 | GAA (0.36) | GAA | |
| SCHEMBL2436668 | 0.79 | GBA2 (0.44) | GBA2GAAGBA1UGCG | |
| SCHEMBL4885572 | 0.78 | GBA2 (0.54) | GBA2GAAGBA1UGCG | |
| SCHEMBL4892211 | 0.78 | GBA2 (0.54) | GBA2GAAGBA1UGCG | |
| SCHEMBL4893528 | 0.78 | GBA2 (0.54) | GBA2GAAGBA1UGCG |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021163254-A1 | HETEROCYCLIC PAD4 INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2021-08-19 | — | — | WO | disclosed |
| WO-2020033490-A1 | SUBSTITUTED THIENOPYRROLES AS PAD4 INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2020-02-13 | — | — | WO | disclosed |