Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN11 | Q06124 | 1/20 | 0.43 |
| ▸ | MMP13 | P45452 | 5/20 | 0.41 |
| ▸ | GRM5 | P41594 | 5/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27216857 | 1.00 | PTPN11 (0.43) | PTPN11MMP13GRM5MMP2NPC1 | |
| SCHEMBL27363438 | 0.96 | PTPN11 (0.44) | PTPN11MMP13GRM5MMP2NPC1 | |
| SCHEMBL30809918 | 0.89 | MMP13 (0.48) | MMP13GRM5MMP2ALDH1A1 | |
| SCHEMBL30809908 | 0.85 | MMP13 (0.45) | PTPN11MMP13GRM5MMP2ALDH1A1 | |
| SCHEMBL27364406 | 0.84 | GRM5 (0.40) | PTPN11GRM5ALDH1A1 | |
| SCHEMBL27363769 | 0.79 | ALDH1A1 (0.55) | PTPN11GRM5NPC1ALDH1A1SMN1; SMN2 | |
| SCHEMBL27363966 | 0.78 | ALDH1A1 (0.57) | PTPN11GRM5NPC1ALDH1A1SMN1; SMN2 | |
| SCHEMBL28516359 | 0.76 | ALDH1A1 (0.52) | PTPN11GRM5ALDH1A1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL4815450 | 0.73 | PTPN11 (0.45) | PTPN11NPC1ALDH1A1CYP2C19 | |
| SCHEMBL27365315 | 0.72 | FFAR1 (0.51) | PTPN11NPC1ALDH1A1SMN1; SMN2EPHX2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024054624-A1 | MODULATORS OF ALPHA-1 ANTITRYPSIN | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2024-03-14 | — | — | WO | disclosed |