Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.42 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | SCN1A | P35498 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11260013 | 0.87 | CYP2D6 (0.62) | CYP2D6ADRA2AADRA1AMEN1KMT2A | |
| SCHEMBL16952054 | 0.86 | CYP2D6 (0.46) | CYP2D6ADRA2AADRA1AMEN1KMT2A | |
| SCHEMBL16953667 | 0.85 | CYP2D6 (0.45) | CYP2D6ADRA2AADRA1AMEN1KMT2A | |
| SCHEMBL16953880 | 0.83 | NQO1 (0.42) | MEN1KMT2AHTTNPSR1ALDH1A1 | |
| SCHEMBL16955958 | 0.82 | ADRA1A (0.45) | CYP2D6ADRA2AADRA1AMEN1KMT2A | |
| SCHEMBL16954392 | 0.81 | CYP2D6 (0.47) | CYP2D6ADRA2AADRA1AMEN1KMT2A | |
| SCHEMBL16960189 | 0.78 | CYP2D6 (0.45) | CYP2D6ADRA2AADRA1AMEN1KMT2A | |
| SCHEMBL16951890 | 0.78 | CA1 (0.47) | CYP2D6ADRA2AADRA1AMEN1KMT2A | |
| SCHEMBL16950714 | 0.78 | ACHE (0.38) | ADRA1AMAPK1HTTNPSR1ACHE | |
| SCHEMBL13791695 | 0.77 | CA12 (0.68) | CYP2D6ADRA2AADRA1AMEN1KMT2A |
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 |