Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK3 | P52333 | 2/20 | 0.43 |
| ▸ | PTK2 | Q05397 | 7/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
| ▸ | KIT | P10721 | 2/20 | 0.39 |
| ▸ | FLT3 | P36888 | 2/20 | 0.39 |
| ▸ | STK17B | O94768 | 2/20 | 0.39 |
| ▸ | STK17A | Q9UEE5 | 2/20 | 0.39 |
| ▸ | GSK3A | P49840 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | CDC7 | O00311 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1915987 | 0.83 | AURKA (0.46) | JAK3PTK2CYP1A2CNR2KMT2A | |
| SCHEMBL1917545 | 0.82 | JAK3 (0.49) | JAK3PTK2CYP1A2CNR2HDAC3 | |
| SCHEMBL1916347 | 0.79 | CHEK1 (0.58) | JAK3PTK2PTK2BCHEK1KIT | |
| SCHEMBL1916470 | 0.78 | ULK1 (0.42) | JAK3PTK2CYP1A2CNR2HDAC3 | |
| SCHEMBL3283610 | 0.76 | ULK1 (0.46) | JAK3PTK2CYP1A2CNR2KMT2A | |
| SCHEMBL1916357 | 0.76 | STK17A (0.53) | JAK3PTK2PTK2BCHEK1KIT | |
| SCHEMBL1917888 | 0.76 | JAK3 (0.47) | JAK3PTK2CYP1A2CNR2HDAC3 | |
| SCHEMBL1917099 | 0.76 | PTK2 (0.41) | JAK3PTK2CYP1A2CNR2KMT2A | |
| SCHEMBL3290090 | 0.75 | ULK1 (0.51) | PTK2CYP1A2CNR2HDAC3HDAC1 | |
| SCHEMBL3284549 | 0.75 | CHEK1 (0.43) | JAK3PTK2CYP1A2CNR2PTK2B |
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-1438053-A1 | PYRIMIDINE DERIVATIVES, PHARMACEUTICAL AGENT CONTAINING SAID COMPOUNDS, USE AND METHOD FOR MAKING SAME | Boehringer Ingelheim Pharma GmbH & Co.KG (DE) | 2004-07-21 | — | — | EP | disclosed |
| WO-2003032997-A1 | PYRIMIDINE DERIVATIVES, PHARMACEUTICAL AGENT CONTAINING SAID COMPOUNDS, USE AND METHOD FOR MAKING SAME | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2003-04-24 | — | — | WO | disclosed |