Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | IDO1 | P14902 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
| ▸ | RORC | P51449 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
| ▸ | NPY1R | P25929 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8512871 | 0.93 | CYP3A4 (0.61) | CYP3A4L3MBTL1EPHX1EPHX2ALDH1A1 | |
| SCHEMBL27546640 | 0.83 | HPGD (0.61) | CYP3A4POLBL3MBTL1ALDH1A1MAPT | |
| SCHEMBL7085041 | 0.82 | KMT2A (0.50) | CYP3A4POLBIDO1ALDH1A1MAPT | |
| SCHEMBL4548035 | 0.82 | EPHX1 (0.70) | CYP3A4POLBIDO1EPHX1EPHX2 | |
| SCHEMBL7089037 | 0.81 | KMT2A (0.55) | CYP3A4POLBIDO1ALDH1A1MAPT | |
| SCHEMBL11348484 | 0.80 | MEN1 (0.61) | CYP3A4L3MBTL1ALDH1A1MAPTALOX15 | |
| SCHEMBL10995578 | 0.80 | TSHR (0.64) | ALDH1A1MAPTNPSR1LMNAMEN1 | |
| SCHEMBL5491596 | 0.80 | ALDH1A1 (0.60) | POLBL3MBTL1ALDH1A1MAPTNPSR1 | |
| SCHEMBL5494871 | 0.76 | MAPT (0.45) | CYP3A4POLBALDH1A1MAPTLMNA | |
| SCHEMBL9824009 | 0.76 | CYP3A4 (0.72) | CYP3A4L3MBTL1EPHX1EPHX2ALDH1A1 |
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-2018091978-A1 | A PROCESS FOR THE PREPARATION OF 2-NITRO-4,5- DICHLOROACETANILIDE | AMOGH CHEMICALS PVT. LTD (IN) | 2018-05-24 | — | — | WO | disclosed |