Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 4/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.34 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.32 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 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 | |
|---|---|---|---|---|
| SCHEMBL21901147 | 0.76 | MEN1 (0.30) | — | |
| SCHEMBL21901271 | 0.75 | PGK1 (0.34) | — | |
| SCHEMBL22768050 | 0.75 | PTPN11 (0.33) | — | |
| SCHEMBL30176382 | 0.75 | GRM5 (0.35) | MAPK8MAPK10MAPK14GRM5 | |
| SCHEMBL29536029 | 0.72 | CDC7 (0.41) | GRM5 | |
| SCHEMBL21900948 | 0.72 | CDC7 (0.41) | GRM5 | |
| SCHEMBL22688397 | 0.71 | LRRK2 (0.38) | MAPK8MAPK10MAPK14GRM5 | |
| SCHEMBL23904233 | 0.70 | MAPT (0.36) | MAPK10MAPK14 | |
| SCHEMBL26045155 | 0.69 | MAPT (0.36) | MAPK10MAPK14 | |
| SCHEMBL26603283 | 0.68 | CTSV (0.44) | MAPK14GRM5 |
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-2022026372-A2 | PROCESSES FOR PREPARING MODULATORS OF ALPHA-1 ANTITRYPSIN | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-02-03 | — | — | WO | disclosed |
| WO-2020081257-A1 | MODULATORS OF ALPHA-1 ANTITRYPSIN | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2020-04-23 | — | — | WO | disclosed |