Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM4 | Q14833 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | BCL6 | P41182 | 2/20 | 0.30 |
| ▸ | NUDT1 | P36639 | 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 | |
|---|---|---|---|---|
| SCHEMBL23270227 | 0.80 | DHFR (0.34) | — | |
| SCHEMBL5435005 | 0.78 | RXFP1 (0.39) | GRM4ALDH1A1NUDT1 | |
| SCHEMBL16462868 | 0.78 | BCL6 (0.37) | GRM4ALDH1A1BCL6 | |
| Benzene SCHEMBL28603598 | 0.77 | DHFR (0.38) | BCL6 | |
| SCHEMBL16814176 | 0.77 | BCL6 (0.43) | GRM4ALDH1A1BCL6 | |
| SCHEMBL19979471 | 0.74 | ALDH1A1 (0.40) | ALDH1A1 | |
| SCHEMBL25723153 | 0.74 | — | — | |
| SCHEMBL15429615 | 0.72 | NUDT1 (0.37) | NUDT1 | |
| SCHEMBL22877047 | 0.69 | MEN1 (0.35) | ALDH1A1 | |
| SCHEMBL11495448 | 0.68 | PDXK (0.32) | ALDH1A1 |
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-3252050-B1 | PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2020-02-26 | — | — | EP | disclosed |