Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA9 | Q16790 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | F2 | P00734 | 1/20 | 0.30 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.30 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.30 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.30 |
| ▸ | TLR7 | Q9NYK1 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15939122 | 0.81 | CYP2C19 (0.43) | CYP2C19POLBKMT2AALDH1A1GLA | |
| SCHEMBL26025885 | 0.80 | POLB (0.47) | CYP2C19POLBKMT2AALDH1A1GLA | |
| SCHEMBL1167599 | 0.77 | ENPP2 (0.35) | CA1CA2CA9 | |
| SCHEMBL28129004 | 0.77 | LOX (0.40) | POLBKMT2AALDH1A1CA1CA2 | |
| SCHEMBL160785 | 0.76 | — | — | |
| SCHEMBL2642337 | 0.74 | RCE1 (0.36) | POLBKMT2AALDH1A1CA1CA2 | |
| SCHEMBL10710294 | 0.74 | IDO1 (0.37) | ALDH1A1MAPK1 | |
| SCHEMBL22912517 | 0.72 | CYP2C19 (0.48) | CYP2C19POLBKMT2AALDH1A1GLA | |
| SCHEMBL23628 | 0.72 | CYP2C19 (0.34) | CYP2C19POLBALDH1A1CA1CA2 | |
| SCHEMBL15464302 | 0.72 | MAOA (0.41) | CYP2C19ALDH1A1CA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105601627-A | Heteroarylpiperidine and -piperazine derivatives as fungicides | BAYER CROPSCIENCE AG | 2016-05-25 | — | — | CN | disclosed |