Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.32 |
| ▸ | MIF | P14174 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL911023 | 0.85 | TP53 (0.54) | TP53TDP1PTGS2ALDH1A1TSHR | |
| SCHEMBL593657 | 0.85 | TP53 (0.54) | TP53TDP1PTGS2ALDH1A1TSHR | |
| SCHEMBL32671494 | 0.85 | TP53 (0.54) | TP53TDP1PTGS2ALDH1A1TSHR | |
| Methane SCHEMBL11026004 | 0.83 | TP53 (0.52) | TP53TDP1PTGS2ALDH1A1TSHR | |
| SCHEMBL14635005 | 0.83 | TP53 (0.52) | TP53TDP1PTGS2ALDH1A1TSHR | |
| SCHEMBL6035255 | 0.83 | TP53 (0.52) | TP53TDP1PTGS2ALDH1A1TSHR | |
| SCHEMBL1645654 | 0.83 | TP53 (0.52) | TP53TDP1PTGS2ALDH1A1TSHR | |
| SCHEMBL9899536 | 0.82 | TP53 (0.50) | TP53TDP1PTGS2ALDH1A1TSHR | |
| SCHEMBL8769118 | 0.82 | TP53 (0.50) | TP53TDP1PTGS2ALDH1A1TSHR | |
| SCHEMBL7024381 | 0.82 | TP53 (0.50) | TP53TDP1PTGS2ALDH1A1TSHR |
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 |