Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.44 |
| ▸ | HPGD | P15428 | 5/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11497636 | 0.72 | ADORA2B (0.39) | CYP1A2CYP3A4CYP2C19NPSR1ALDH1A1 | |
| SCHEMBL11071673 | 0.70 | PTGS2 (0.62) | CYP1A2CYP3A4CYP2C19NPSR1ALDH1A1 | |
| SCHEMBL15940080 | 0.66 | NPSR1 (0.67) | CYP1A2CYP3A4CYP2C19NPSR1 | |
| SCHEMBL28227850 | 0.66 | LMNA (0.41) | ALDH1A1KDM4EGAAMAPTHSD17B10 | |
| SCHEMBL30874782 | 0.66 | SMN1; SMN2 (0.55) | CYP1A2CYP3A4CYP2C19NPSR1ALDH1A1 | |
| SCHEMBL1967980 | 0.65 | CFTR (0.69) | CYP1A2CYP3A4CYP2C19NPSR1ALDH1A1 | |
| SCHEMBL13516912 | 0.65 | CYP11B1 (0.60) | CYP1A2CYP3A4CYP2C19NPSR1ALDH1A1 | |
| SCHEMBL7205591 | 0.64 | — | — | |
| SCHEMBL29653558 | 0.64 | — | — | |
| SCHEMBL11034218 | 0.64 | L3MBTL1 (0.66) | CYP3A4CYP2C19NPSR1ALDH1A1KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4447258-A | 3-Dimethylamino-4-methyl-1,2,4-triazin-5(4H)-ones and herbicidal compositions | BAYER AKTIENGESELLSCHAFT (DE) | 1984-05-08 | — | — | US | disclosed |
| EP-0015452-A1 | 6-Substituted-3-dimethylamino-4-methyl-1,2,4-triazin-5-(4H)-ones, processes for their preparation and their use as herbicides | BAYER AG (DE) | 1980-09-17 | — | — | EP | disclosed |