Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 7/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 3/20 | 0.43 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL14915852 | 0.82 | POLB (0.48) | AKR1C3MAPTALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL14915853 | 0.82 | POLB (0.48) | AKR1C3MAPTALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL1393155 | 0.76 | AKR1C3 (0.68) | AKR1C3MAPTALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL2339091 | 0.74 | MAPT (0.64) | AKR1C3MAPTALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL27741463 | 0.74 | ALDH1A1 (0.39) | ALDH1A1LMNAKMT2AMEN1L3MBTL1 | |
| SCHEMBL14915312 | 0.73 | TRPC6 (0.39) | SMN1; SMN2 | |
| SCHEMBL5238334 | 0.72 | AKR1C3 (0.63) | AKR1C3MAPTALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL21855203 | 0.72 | AKR1C3 (0.49) | AKR1C3MAPTALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL21855242 | 0.72 | MAPT (0.53) | AKR1C3MAPTALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL16569815 | 0.72 | SIRT6 (0.54) | AKR1C3MAPTALDH1A1SMN1; SMN2LMNA |
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-3083625-A1 | PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS | Almac Discovery Limited (GB) | 2016-10-26 | — | — | EP | disclosed |
| WO-2015092431-A1 | PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS | ALMAC DISCOVERY LIMITED (GB) | 2015-06-25 | — | — | WO | disclosed |