Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN2 | P17706 | 1/20 | 0.38 |
| ▸ | IDH1 | O75874 | 7/20 | 0.37 |
| ▸ | CCR2 | P41597 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | CACNA1B | Q00975 | 3/20 | 0.34 |
| ▸ | DDR2 | Q16832 | 1/20 | 0.34 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.33 |
| ▸ | GHSR | Q92847 | 1/20 | 0.33 |
| ▸ | NPY1R | P25929 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL1876615 | 1.00 | PTPN2 (0.38) | PTPN2IDH1CCR2HTR2CHTR2B | |
| Trifluoroacetic Acid SCHEMBL1878705 | 0.90 | CCR2 (0.37) | CCR2HTR2CHTR2BCACNA1BDDR2 | |
| Trifluoroacetic Acid SCHEMBL3047584 | 0.89 | CCR2 (0.38) | PTPN2IDH1CCR2 | |
| Trifluoroacetic Acid SCHEMBL3046770 | 0.89 | CCR2 (0.38) | PTPN2IDH1CCR2 | |
| Trifluoroacetic Acid SCHEMBL1876885 | 0.88 | HDAC1 (0.39) | HTR2CHTR2BCACNA1BCACNA1H | |
| Trifluoroacetic Acid SCHEMBL1879960 | 0.88 | HDAC1 (0.39) | HTR2CHTR2BCACNA1BCACNA1H | |
| Trifluoroacetic Acid SCHEMBL1879078 | 0.85 | SCN9A (0.41) | CCR2HTR2CHTR2BCACNA1BCACNA1H | |
| SCHEMBL12634057 | 0.84 | MMP12 (0.40) | PTPN2 | |
| Trifluoroacetic Acid SCHEMBL1882565 | 0.82 | LTA4H (0.37) | CCR2CACNA1BCACNA1HGHSR | |
| Trifluoroacetic Acid SCHEMBL1880987 | 0.82 | LTA4H (0.37) | CCR2CACNA1BCACNA1HGHSR |
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 |
|---|---|---|---|---|---|---|---|
| US-7939528-B2 | Heterocycle compounds | GLAXOSMITHKLINE LLC (US) | 2011-05-10 | — | — | US | disclosed |