Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | DHFR | P00374 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 6/20 | 0.42 |
| ▸ | CA12 | O43570 | 4/20 | 0.42 |
| ▸ | CA1 | P00915 | 4/20 | 0.42 |
| ▸ | CA9 | Q16790 | 4/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MPO | P05164 | 1/20 | 0.38 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4770148 | 0.95 | GAA (0.47) | GAAALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10688276 | 0.90 | GAA (0.52) | GAAALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL18236830 | 0.84 | ALDH1A1 (0.44) | ALDH1A1CYP3A4CYP2C9CYP2C19TDP1 | |
| SCHEMBL10686079 | 0.83 | PSIP1 (0.47) | ALDH1A1CYP3A4CYP2C9CYP2C19SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL10686023 | 0.82 | PSIP1 (0.46) | ALDH1A1CYP3A4CYP2C9CYP2C19L3MBTL1 | |
| SCHEMBL4766529 | 0.79 | CA12 (0.61) | ALDH1A1CYP3A4TSHRDHFRSMN1; SMN2 | |
| SCHEMBL10682145 | 0.79 | HDAC1 (0.49) | ALDH1A1CYP3A4CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL29980399 | 0.78 | GAA (0.61) | GAAALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10689278 | 0.77 | HDAC1 (0.51) | ALDH1A1CYP3A4CYP2C9CYP2C19SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL10687757 | 0.77 | HDAC1 (0.48) | ALDH1A1CYP3A4CYP2C9CYP2C19SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1303496-B9 | PYRIMIDINE DERIVATIVES | ASTRAZENECA AB (SE) | 2008-03-19 | — | — | EP | disclosed |
| EP-1303496-B1 | PYRIMIDINE DERIVATIVES | ASTRAZENECA AB (SE) | 2007-09-12 | — | — | EP | disclosed |