Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | PTPRB | P23467 | 1/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.40 |
| ▸ | NAMPT | P43490 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 7/20 | 0.39 |
| ▸ | CA2 | P00918 | 7/20 | 0.39 |
| ▸ | CA12 | O43570 | 5/20 | 0.39 |
| ▸ | CA9 | Q16790 | 5/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | LATS1 | O95835 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | SYK | P43405 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8329540 | 0.89 | IDO1 (0.50) | CYP3A4PTPRBIDO1MAPTSYK | |
| SCHEMBL8798754 | 0.88 | CYP3A4 (0.57) | CYP3A4PTPRBNAMPTIDO1MAPT | |
| SCHEMBL8799915 | 0.85 | CA1 (0.45) | CYP3A4PTPRBCA1CA2CA12 | |
| SCHEMBL8800029 | 0.83 | KEAP1 (0.42) | CYP3A4PTPRBKEAP1NFE2L2CA1 | |
| SCHEMBL8798252 | 0.81 | CYP3A4 (0.56) | CYP3A4PTPRBNAMPTIDO1 | |
| SCHEMBL8803281 | 0.80 | HDAC3 (0.51) | CYP3A4PTPRBCA1CA2IDO1 | |
| SCHEMBL8799056 | 0.79 | SIGMAR1 (0.51) | CYP3A4PTPRBCA1CA2IDO1 | |
| SCHEMBL8799769 | 0.77 | LTA4H (0.41) | CYP3A4CYP17A1NAMPTLATS1 | |
| SCHEMBL8799637 | 0.77 | CYP3A4 (0.49) | CYP3A4PTPRBNAMPTCA1CA2 | |
| SCHEMBL8331034 | 0.77 | TDP1 (0.44) | PTPRBCA1CA2CA12CA9 |
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-0792878-A2 | Geminal carboxylic acids and esters thereof, pharmaceutical formulations containing them useful in the treatment of bone dysmetabolism | Dompé S.P.A. (IT) | 1997-09-03 | — | — | EP | disclosed |