Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | XBP1 | P17861 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 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 | |
|---|---|---|---|---|
| SCHEMBL27363966 | 0.98 | ALDH1A1 (0.57) | ALDH1A1KDM4EXBP1L3MBTL1SMN1; SMN2 | |
| SCHEMBL28516359 | 0.97 | ALDH1A1 (0.52) | ALDH1A1KDM4EXBP1L3MBTL1SMN1; SMN2 | |
| SCHEMBL22655815 | 0.87 | HPGD (0.53) | ALDH1A1KDM4EXBP1L3MBTL1SMN1; SMN2 | |
| SCHEMBL23899830 | 0.82 | SMN1; SMN2 (0.45) | ALDH1A1KDM4EXBP1L3MBTL1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL4815450 | 0.81 | PTPN11 (0.45) | ALDH1A1KDM4EXBP1L3MBTL1HPGD | |
| SCHEMBL27363963 | 0.79 | PTPN11 (0.43) | ALDH1A1SMN1; SMN2PTPN11GRM5NPC1 | |
| SCHEMBL27216857 | 0.79 | PTPN11 (0.43) | ALDH1A1SMN1; SMN2PTPN11GRM5NPC1 | |
| SCHEMBL23883953 | 0.79 | SMN1; SMN2 (0.40) | ALDH1A1KDM4EXBP1L3MBTL1SMN1; SMN2 | |
| SCHEMBL23899753 | 0.78 | PTPN11 (0.48) | ALDH1A1KDM4ESMN1; SMN2HPGDPTPN11 | |
| SCHEMBL22655685 | 0.78 | PTPN11 (0.45) | ALDH1A1L3MBTL1PTPN11MAPTHTT |
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 |