Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.54 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.50 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.49 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | ELANE | P08246 | 1/20 | 0.46 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.46 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.46 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.46 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7782242 | 1.00 | SMN1; SMN2 (0.54) | SMN1; SMN2ADORA3GLO1NFE2L2KMT2A | |
| SCHEMBL7782212 | 0.82 | NFE2L2 (0.58) | NFE2L2KMT2AMEN1MAPTALDH1A1 | |
| SCHEMBL7782216 | 0.82 | NFE2L2 (0.58) | NFE2L2KMT2AMEN1MAPTALDH1A1 | |
| SCHEMBL4030661 | 0.81 | SMN1; SMN2 (0.60) | SMN1; SMN2ADORA3GLO1KMT2AMEN1 | |
| SCHEMBL16307968 | 0.80 | SMN1; SMN2 (0.62) | SMN1; SMN2ADORA3GLO1KMT2AMEN1 | |
| SCHEMBL27533745 | 0.79 | TSHR (0.61) | SMN1; SMN2ADORA3KMT2AMEN1MAPT | |
| SCHEMBL7790064 | 0.79 | TSHR (0.61) | SMN1; SMN2ADORA3KMT2AMEN1MAPT | |
| SCHEMBL7717261 | 0.79 | SNCA (0.53) | NFE2L2KMT2AMEN1MAPTMAPK1 | |
| SCHEMBL7717263 | 0.79 | SNCA (0.53) | NFE2L2KMT2AMEN1MAPTMAPK1 | |
| SCHEMBL7723906 | 0.78 | SMN1; SMN2 (0.68) | SMN1; SMN2ADORA3KMT2AMEN1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-6251917-B1 | Benzamidoaldehydes and their use as cysteine protease inhibitors | BASF AKTIENGESELLSCHAFT (DE) | 2001-06-26 | — | — | US | disclosed |