Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 4/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | JUN | P05412 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16309558 | 0.85 | JUN (0.45) | CYP1A1CYP1B1NFE2L2CYP1A2MAPT | |
| SCHEMBL16957792 | 0.83 | MAPT (0.44) | CYP1A1CYP1B1NFE2L2CYP1A2MAPT | |
| SCHEMBL16953819 | 0.83 | MEN1 (0.41) | MAPTMEN1KMT2AALDH1A1NPC1 | |
| SCHEMBL1792533 | 0.82 | CYP1A1 (0.61) | CYP1A1CYP1B1NFE2L2CYP1A2MAPT | |
| SCHEMBL16951888 | 0.79 | ALDH1A1 (0.44) | MAPTMEN1KMT2APOLBALDH1A1 | |
| SCHEMBL16952820 | 0.77 | MAPT (0.38) | NFE2L2MAPTMEN1KMT2ACA12 | |
| SCHEMBL16953981 | 0.77 | CA12 (0.45) | CYP1A1CYP1B1NFE2L2CYP1A2MAPT | |
| SCHEMBL16956035 | 0.77 | CYP1A1 (0.44) | CYP1A1CYP1B1NFE2L2CYP1A2MAPT | |
| SCHEMBL28829660 | 0.76 | CYP1A1 (0.46) | CYP1A1CYP1B1NFE2L2CYP1A2MAPT | |
| SCHEMBL16953747 | 0.76 | HPGD (0.42) | CYP1A2MAPTPOLBALDH1A1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2900645-A1 | 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION | Bayer CropScience AG (DE) | 2015-08-05 | — | — | EP | disclosed |