Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.34 |
| ▸ | MCOLN2 | Q8IZK6 | 1/20 | 0.32 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL6644612 | 0.80 | — | — | |
| SCHEMBL4546362 | 0.78 | P2RX3 (0.36) | CYP17A1MCOLN2CYP3A4 | |
| SCHEMBL6641950 | 0.75 | ALDH1A1 (0.33) | CYP3A4CYP2C19 | |
| SCHEMBL6640709 | 0.74 | MCOLN2 (0.35) | CYP17A1MCOLN2 | |
| SCHEMBL21347897 | 0.73 | MCOLN2 (0.36) | CYP17A1MCOLN2 | |
| SCHEMBL6644680 | 0.72 | — | — | |
| SCHEMBL25463387 | 0.70 | TSHR (0.38) | CYP17A1MCOLN2 | |
| SCHEMBL18595099 | 0.70 | TSHR (0.38) | CYP17A1MCOLN2 | |
| SCHEMBL21260275 | 0.69 | MALT1 (0.39) | CYP17A1CYP3A4 | |
| SCHEMBL6645156 | 0.69 | CYP17A1 (0.38) | CYP17A1MCOLN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6806230-B1 | NITROGEN COMPOUNDS SUCH AS N-METHYL-N-(2-METHYL-1-(4-TRIFLUORO METHYLPYRIMIDIN-5-YL)PROPYL)PHENYLACETAMIDE, USED FOR PREFERENTIAL CONTROL OF WEEDS | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 2004-10-19 | — | — | US | disclosed |
| EP-1211246-B1 | PYRIMIDINE DERIVATIVES AND HERBICIDES CONTAINING THE SAME | KUMIAI CHEMICAL INDUSTRY CO (JP) | 2004-02-25 | — | — | EP | disclosed |
| EP-1211246-A1 | PYRIMIDINE DERIVATIVES AND HERBICIDES CONTAINING THE SAME | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 2002-06-05 | — | — | EP | disclosed |