Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 3/20 | 0.35 |
| ▸ | SMPD1 | P17405 | 2/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 3/20 | 0.33 |
| ▸ | F10 | P00742 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4129431 | 0.92 | XDH (0.34) | XDHCNR2SMPD1 | |
| SCHEMBL3480053 | 0.88 | XDH (0.39) | XDHCNR2SMPD1MCHR1F10 | |
| SCHEMBL3480325 | 0.88 | XDH (0.39) | XDHCNR2SMPD1MCHR1F10 | |
| SCHEMBL3480294 | 0.83 | XDH (0.35) | XDHCNR2SMPD1CA1CA2 | |
| SCHEMBL4565924 | 0.82 | CA2 (0.31) | CA2 | |
| SCHEMBL4132872 | 0.80 | CNR2 (0.36) | XDHCNR2SMPD1MCHR1F10 | |
| SCHEMBL3480318 | 0.77 | XDH (0.33) | XDHMCHR1 | |
| SCHEMBL3480317 | 0.77 | XDH (0.33) | XDHMCHR1 | |
| SCHEMBL12979789 | 0.76 | XDH (0.34) | XDH | |
| SCHEMBL3480605 | 0.76 | TOP1 (0.35) | XDHCNR2SMPD1ALDH1A1TP53 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2024376-A1 | NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE | Merck & Co., Inc. (US) | 2009-02-18 | — | — | EP | disclosed |
| WO-2007139729-A1 | NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE | MERCK & CO., INC. (US) | 2007-12-06 | — | — | WO | disclosed |