Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | BMP1 | P13497 | 1/20 | 0.35 |
| ▸ | HTR1B | P28222 | 1/20 | 0.35 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7213233 | 0.78 | ESR1 (0.59) | ESR1TDP1 | |
| SCHEMBL6403369 | 0.76 | ESR1 (0.54) | ESR1TDP1 | |
| SCHEMBL17788509 | 0.74 | BCHE (0.44) | SMN1; SMN2ALDH1A1CACNA2D1HTR1BNR2E1 | |
| SCHEMBL23859846 | 0.74 | RORC (0.46) | ESR1KDM4E | |
| SCHEMBL7835577 | 0.74 | CA2 (0.41) | ESR1SMN1; SMN2ALDH1A1LMNATP53 | |
| SCHEMBL28044682 | 0.73 | MCL1 (0.47) | — | |
| SCHEMBL28147719 | 0.72 | BMP1 (0.50) | ESR1SMN1; SMN2ALDH1A1LMNATDP1 | |
| SCHEMBL3376825 | 0.70 | ESR1 (0.54) | ESR1SMN1; SMN2ALDH1A1LMNATDP1 | |
| SCHEMBL4813321 | 0.69 | MTNR1A (0.53) | SLC6A2KDM4E | |
| SCHEMBL27283527 | 0.69 | ESR1 (0.53) | ESR1SMN1; SMN2ALDH1A1LMNATDP1 |
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-A1 | PYRIMIDINE DERIVATIVES | AstraZeneca AB (SE) | 2003-04-23 | — | — | EP | disclosed |
| WO-2002004429-A1 | PYRIMIDINE DERIVATIVES | ASTRAZENECA AB (SE) | 2002-01-17 | — | — | WO | disclosed |