Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 4/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.32 |
| ▸ | CRHBP | P24387 | 1/20 | 0.32 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | ALB | P02768 | 1/20 | 0.32 |
| ▸ | GLRA3 | O75311 | 1/20 | 0.32 |
| ▸ | GLRB | P48167 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL31021576 | 1.00 | ESR1 (0.38) | ESR1DPP4CA12CA1CA2 | |
| SCHEMBL31021584 | 0.92 | DPP4 (0.36) | ESR1DPP4CA12CA1CA2 | |
| SCHEMBL1899129 | 0.92 | MEN1 (0.37) | ESR1DPP4CA12CA1CA2 | |
| SCHEMBL721202 | 0.89 | ESR1 (0.41) | ESR1DPP4CA12CA1CA2 | |
| Water SCHEMBL1285779 | 0.86 | ESR1 (0.39) | ESR1DPP4CA12CA1CA2 | |
| SCHEMBL29773954 | 0.86 | ESR1 (0.39) | ESR1DPP4CA12CA1CA2 | |
| SCHEMBL7579018 | 0.86 | ESR1 (0.39) | ESR1DPP4CA12CA1CA2 | |
| SCHEMBL5588961 | 0.84 | MEN1 (0.36) | ESR1DPP4CA12CA1CA2 | |
| Water SCHEMBL9861421 | 0.84 | ESR1 (0.38) | ESR1DPP4CA12CA1CA2 | |
| SCHEMBL8375873 | 0.84 | ESR1 (0.38) | ESR1DPP4CA12CA1CA2 |
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-0902779-A2 | PHOSPHATE MIMICS | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 1999-03-24 | — | — | EP | disclosed |
| WO-1997040006-A2 | PHOSPHATE MIMICS | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 1997-10-30 | — | — | WO | disclosed |