Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | MGLL | Q99685 | 2/20 | 0.43 |
| ▸ | BCL9 | O00512 | 1/20 | 0.42 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL22403188 | 0.91 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2MGLLBCL9CTNNB1 | |
| SCHEMBL20187616 | 0.89 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2MGLLBCL9CTNNB1 | |
| SCHEMBL20199816 | 0.85 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2MGLLBCL9CTNNB1 | |
| SCHEMBL20199774 | 0.83 | BCL9 (0.47) | ALDH1A1SMN1; SMN2MGLLBCL9CTNNB1 | |
| SCHEMBL20199841 | 0.83 | BCL9 (0.44) | ALDH1A1SMN1; SMN2MGLLBCL9CTNNB1 | |
| SCHEMBL20200104 | 0.80 | BCL9 (0.42) | ALDH1A1SMN1; SMN2MGLLBCL9CTNNB1 | |
| SCHEMBL20199981 | 0.80 | DRD4 (0.43) | ALDH1A1 | |
| SCHEMBL22112107 | 0.79 | BCL9 (0.43) | ALDH1A1SMN1; SMN2MGLLBCL9CTNNB1 | |
| SCHEMBL20199801 | 0.78 | ACHE (0.42) | ALDH1A1SMN1; SMN2BCL9CTNNB1POLB | |
| SCHEMBL22403127 | 0.77 | BCL9 (0.47) | ALDH1A1SMN1; SMN2MGLLBCL9CTNNB1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3544964-B1 | HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING | Bayer Pharma AG (DE) | 2020-06-17 | — | — | EP | disclosed |