Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.44 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | RARB | P10826 | 1/20 | 0.43 |
| ▸ | MMP3 | P08254 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2557938 | 0.95 | TDP1 (0.54) | TDP1MAPK1EPHX2CA1CA2 | |
| SCHEMBL17825479 | 0.91 | RARB (0.49) | TDP1MAPK1EPHX2CA1CA2 | |
| SCHEMBL2553952 | 0.87 | FDPS (0.47) | TDP1MAPK1EPHX2CA1CA2 | |
| SCHEMBL2562275 | 0.85 | TDP1 (0.47) | TDP1MAPK1EPHX2CA1CA2 | |
| 1,4-Diisopentoxybenzene SCHEMBL2846102 | 0.84 | TDP1 (0.79) | TDP1MAPK1EPHX2GAAHTT | |
| SCHEMBL2560149 | 0.84 | RARB (0.43) | TDP1MAPK1EPHX2CA1CA2 | |
| SCHEMBL7135476 | 0.83 | RARB (0.50) | TDP1MAPK1EPHX2CA1CA2 | |
| SCHEMBL2556749 | 0.82 | KCNH2 (0.43) | TDP1MAPK1EPHX2CA1CA2 | |
| SCHEMBL1962389 | 0.81 | CA2 (0.52) | CA1CA2ENPP2ALDH1A1TSHR | |
| SCHEMBL2559788 | 0.80 | ENPP2 (0.54) | TDP1MAPK1EPHX2ENPP2SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |