Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 2/20 | 0.33 |
| ▸ | RORC | P51449 | 1/20 | 0.33 |
| ▸ | PLAU | P00749 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | ATP4A | P20648 | 1/20 | 0.33 |
| ▸ | ATP4B | P51164 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | EED | O75530 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.31 |
| ▸ | JAK1 | P23458 | 1/20 | 0.31 |
| ▸ | TYK2 | P29597 | 1/20 | 0.31 |
| ▸ | JAK3 | P52333 | 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 | |
|---|---|---|---|---|
| SCHEMBL9910784 | 0.93 | ALDH1A1 (0.40) | ALDH1A1POLBMAPTBACE1SLC6A4 | |
| SCHEMBL10943037 | 0.87 | ALDH1A1 (0.36) | ALDH1A1POLBMAPTBACE1SLC6A4 | |
| SCHEMBL11117323 | 0.78 | ALDH1A1 (0.35) | ALDH1A1POLBMAPTBACE1ATP4A | |
| SCHEMBL21339723 | 0.77 | SLC6A4 (0.32) | SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL21339722 | 0.77 | SLC6A4 (0.32) | SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL12241634 | 0.76 | ALDH1A1 (0.41) | ALDH1A1BACE1 | |
| SCHEMBL394746 | 0.76 | ALDH1A1 (0.48) | ALDH1A1POLBMAPTBACE1SLC6A4 | |
| SCHEMBL25988143 | 0.75 | PPARG (0.42) | POLBBACE1RORCPPARG | |
| SCHEMBL40067 | 0.75 | IDO1 (0.32) | SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL29398175 | 0.75 | IDO1 (0.32) | SLC6A4SLC6A2SLC6A3 |
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-2367800-B1 | SUBSTITUTED PYRIMIDINES FOR THE TREATMENT OF DISEASES SUCH AS CANCER | BOEHRINGER INGELHEIM INT (DE) | 2018-02-28 | — | — | EP | disclosed |