Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16956109 | 0.82 | KMT2A (0.35) | ALDH1A1GABRA1GABRB2MAPTKDM4E | |
| SCHEMBL2097561 | 0.81 | IRAK4 (0.47) | IRAK4ALDH1A1ACHENPSR1KDM4E | |
| SCHEMBL1458318 | 0.80 | IRAK4 (0.40) | IRAK4CA1CA2CA7CA9 | |
| SCHEMBL16958368 | 0.80 | PDCD1 (0.46) | IRAK4CA1CA2CA7CA9 | |
| SCHEMBL7674886 | 0.79 | PDE4A (0.44) | CA1CA2CA7CA9ALDH1A1 | |
| SCHEMBL16954261 | 0.79 | ADRB3 (0.39) | IRAK4CA1CA2CA7CA9 | |
| SCHEMBL16951396 | 0.79 | IRAK4 (0.39) | IRAK4CA1CA2CA7CA9 | |
| SCHEMBL16955564 | 0.77 | ALDH1A1 (0.42) | IRAK4CA1CA2ALDH1A1NPSR1 | |
| SCHEMBL16962570 | 0.77 | S1PR1 (0.38) | IRAK4CA1CA2CA7CA9 | |
| SCHEMBL16961825 | 0.76 | ALDH1A1 (0.45) | ALDH1A1GABRA1GABRB2NPSR1TP53 |
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 |