Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.30 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL23213688 | 0.80 | HTT (0.33) | ALDH1A1HTT | |
| SCHEMBL26299063 | 0.76 | IRAK4 (0.39) | ALDH1A1CHRNB2CHRNA4 | |
| SCHEMBL23261957 | 0.71 | — | — | |
| SCHEMBL344427 | 0.68 | KDM4E (0.50) | ALDH1A1 | |
| SCHEMBL20320630 | 0.66 | HTT (0.38) | CHRNB2CHRNA4HTT | |
| SCHEMBL26299064 | 0.65 | CHRNB2 (0.38) | CHRNB2CHRNA4 | |
| SCHEMBL15832229 | 0.64 | IRAK4 (0.50) | HTT | |
| SCHEMBL14761679 | 0.63 | HDAC1 (0.42) | ALDH1A1 | |
| SCHEMBL19195182 | 0.62 | — | — | |
| SCHEMBL22198973 | 0.62 | — | — |
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-2021070132-A1 | BI-ARYL DIHYDROOROTATE DEHYDROGENASE INHIBITORS | JANSSEN BIOTECH, INC. (US) | 2021-04-15 | — | — | WO | disclosed |