Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | GRM5 | P41594 | 2/20 | 0.41 |
| ▸ | PTGDR2 | Q9Y5Y4 | 6/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.35 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.35 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL256077 | 0.82 | GRM5 (0.38) | GRM5PTGDR2PRSS1PRSS2PRSS3 | |
| SCHEMBL9967677 | 0.77 | KCNH2 (0.44) | KCNH2GRM5PTGDR2FFAR1PRSS1 | |
| SCHEMBL2108691 | 0.76 | KCNH2 (0.42) | KCNH2GRM5PTGDR2FFAR1PRSS1 | |
| SCHEMBL256660 | 0.75 | KCNH2 (0.39) | KCNH2GRM5PTGDR2ALDH1A1 | |
| SCHEMBL4448140 | 0.73 | KCNH2 (0.61) | KCNH2GRM5PTGDR2FFAR1ALDH1A1 | |
| SCHEMBL30707788 | 0.73 | KCNH2 (0.61) | KCNH2GRM5PTGDR2FFAR1ALDH1A1 | |
| SCHEMBL2108693 | 0.72 | KCNH2 (0.39) | KCNH2GRM5PTGDR2FFAR1PRSS1 | |
| SCHEMBL2637393 | 0.71 | ALDH1A1 (0.50) | PTGDR2FFAR1PRSS1PRSS2PRSS3 | |
| SCHEMBL15978536 | 0.70 | — | — | |
| SCHEMBL256672 | 0.69 | GRM5 (0.39) | KCNH2GRM5FFAR1PRSS1PRSS2 |
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-2012028578-A1 | SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES | BAYER CROPSCIENCE AG (DE) | 2012-03-08 | — | — | WO | disclosed |