Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22112106 | 0.91 | ALDH1A1 (0.35) | ALDH1A1MAPK1HSD17B10HSD11B1 | |
| SCHEMBL22069326 | 0.83 | ALDH1A1 (0.37) | ALDH1A1MAPK1HSD17B10HSD11B1 | |
| SCHEMBL20199792 | 0.81 | — | — | |
| SCHEMBL20199838 | 0.78 | HSD17B10 (0.33) | ALDH1A1HSD17B10 | |
| SCHEMBL22069436 | 0.78 | ALDH1A1 (0.32) | ALDH1A1MAPK1HSD17B10HTT | |
| SCHEMBL22403182 | 0.78 | — | — | |
| SCHEMBL20200044 | 0.78 | HDAC1 (0.38) | ALDH1A1 | |
| SCHEMBL20200026 | 0.78 | — | — | |
| SCHEMBL20200110 | 0.77 | CACNA2D1 (0.36) | ALDH1A1MAPK1HTT | |
| SCHEMBL20200043 | 0.74 | HSD11B1 (0.41) | HSD11B1 |
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-2018096082-A1 | HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2018-05-31 | — | — | WO | disclosed |