Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3940066 | 0.94 | ALDH1A1 (0.35) | ALDH1A1MAPK1TDP1 | |
| SCHEMBL26744523 | 0.89 | ALDH1A1 (0.35) | ALDH1A1MAPK1TDP1 | |
| SCHEMBL25490755 | 0.86 | ALDH1A1 (0.33) | ALDH1A1MAPK1TDP1 | |
| SCHEMBL3942257 | 0.86 | — | — | |
| SCHEMBL65290 | 0.85 | — | — | |
| SCHEMBL9288809 | 0.85 | — | — | |
| SCHEMBL8029373 | 0.82 | — | — | |
| SCHEMBL413705 | 0.82 | — | — | |
| Bromide SCHEMBL22407641 | 0.82 | — | — | |
| SCHEMBL9307422 | 0.82 | — | — |
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-1806350-B1 | Amphipatic polycarboxylic chelates and complexes with paramagnetic metals as MRI contrast agents | BRACCO INT BV (NL) | 2010-01-06 | — | — | EP | disclosed |