Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR17 | Q13304 | 9/20 | 0.57 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.55 |
| ▸ | EGFR | P00533 | 1/20 | 0.49 |
| ▸ | APEX1 | P27695 | 1/20 | 0.47 |
| ▸ | GSK3B | P49841 | 2/20 | 0.45 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.41 |
| ▸ | MMP14 | P50281 | 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 | |
|---|---|---|---|---|
| SCHEMBL20120041 | 0.90 | TBXAS1 (0.64) | GPR17TBXAS1EGFRAPEX1MMP2 | |
| SCHEMBL18509728 | 0.88 | GPR17 (0.72) | GPR17EGFRAPEX1 | |
| SCHEMBL20934938 | 0.82 | GSK3B (0.45) | GPR17TBXAS1GSK3BIMPDH2MMP2 | |
| SCHEMBL18509428 | 0.80 | EGFR (0.72) | GPR17TBXAS1EGFRAPEX1 | |
| SCHEMBL18029306 | 0.80 | IMPDH2 (0.41) | GPR17TBXAS1GSK3BIMPDH2MMP2 | |
| SCHEMBL20935027 | 0.79 | EGFR (0.56) | GPR17TBXAS1EGFRAPEX1 | |
| SCHEMBL18509485 | 0.78 | GPR17 (0.57) | GPR17TBXAS1EGFRAPEX1 | |
| SCHEMBL23226279 | 0.78 | GPR17 (0.71) | GPR17EGFRAPEX1 | |
| SCHEMBL20119873 | 0.77 | RXRA (0.45) | GPR17EGFRGSK3B | |
| SCHEMBL20935034 | 0.75 | EGFR (0.55) | GPR17TBXAS1EGFRAPEX1 |
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-2018081456-A1 | HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) | 2018-05-03 | — | — | WO | disclosed |