Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8327495 | 0.87 | EPHX1 (0.46) | EPHX1TDP1CTSSCTSKGAA | |
| SCHEMBL8331769 | 0.82 | EPHX1 (0.44) | EPHX1TDP1CTSSCTSKGAA | |
| SCHEMBL8798969 | 0.80 | CASP1 (0.34) | EPHX1CTSSCTSKCASP1GAA | |
| SCHEMBL4073139 | 0.79 | EPHX1 (0.60) | EPHX1TDP1CTSSCTSKGAA | |
| SCHEMBL8328919 | 0.78 | EPHX1 (0.46) | EPHX1TDP1CTSSCTSKGAA | |
| SCHEMBL14377997 | 0.78 | TDP1 (0.48) | EPHX1TDP1GAAMEN1KMT2A | |
| SCHEMBL4072834 | 0.77 | EPHX1 (0.57) | EPHX1TDP1CTSSCTSKGAA | |
| Potassium Ion SCHEMBL8798425 | 0.77 | EPHX1 (0.45) | EPHX1TDP1CTSSCTSKGAA | |
| SCHEMBL8323679 | 0.75 | EPHX1 (0.44) | EPHX1TDP1CTSSCTSKGAA | |
| SCHEMBL1276827 | 0.73 | TDP1 (0.54) | EPHX1TDP1GAAMEN1KMT2A |
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 |