Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | PPARD | Q03181 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL2079486 | 0.78 | TSHR (0.39) | TSHRTP53TDP1PPARDCA12 | |
| SCHEMBL7490235 | 0.77 | TSHR (0.37) | TSHRTP53TDP1PPARDCA12 | |
| SCHEMBL14105288 | 0.76 | TSHR (0.40) | TSHRTP53TDP1PPARDCA12 | |
| SCHEMBL3170237 | 0.75 | TP53 (0.38) | TSHRTP53TDP1PPARDCA12 | |
| SCHEMBL6553791 | 0.75 | TSHR (0.36) | TSHRTP53TDP1PPARDCA12 | |
| SCHEMBL905270 | 0.75 | TSHR (0.36) | TSHRTP53TDP1PPARDCA12 | |
| SCHEMBL11430886 | 0.74 | TP53 (0.41) | TSHRTP53TDP1PPARDCA12 | |
| SCHEMBL10590583 | 0.74 | TSHR (0.41) | TSHRTP53TDP1PPARDCA12 | |
| SCHEMBL1749816 | 0.74 | TP53 (0.37) | TSHRTP53TDP1PPARDCA12 | |
| SCHEMBL1683251 | 0.72 | TSHR (0.37) | TSHRTP53TDP1PPARDCA12 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997049711-A1 | DERIVATIVES OF CARBOXY GEM-BISPHOSPHONATES WITH ANTITUMOR ACTIVITY, A PROCESS FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1997-12-31 | — | — | WO | disclosed |