Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | EED | O75530 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL5273085 | 0.86 | GAA (0.40) | GAACYP3A4CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL5274704 | 0.84 | GAA (0.43) | GAACYP3A4CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL28902008 | 0.81 | ALOX15 (0.39) | GAACYP3A4CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL5276735 | 0.81 | GAA (0.41) | GAACYP3A4CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL10910425 | 0.80 | GAA (0.46) | GAACYP3A4CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL12232709 | 0.80 | GAA (0.43) | GAACYP3A4CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL1847963 | 0.80 | GAA (0.43) | GAACYP3A4CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL5007400 | 0.80 | GAA (0.43) | GAACYP3A4CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL5274699 | 0.80 | CYP3A4 (0.42) | GAACYP3A4CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL5273087 | 0.78 | CYP1A2 (0.41) | GAACYP3A4CYP2C9CYP2C19POLB |
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-1860113-A1 | Ectonucleotidase inhibitors | Rheinische Friedrich-Wilhelms-Universität Bonn (DE) | 2007-11-28 | — | — | EP | disclosed |