Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNB2 | O95067 | 8/20 | 0.56 |
| ▸ | CDK1 | P06493 | 8/20 | 0.56 |
| ▸ | CCNB1 | P14635 | 8/20 | 0.56 |
| ▸ | CCNB3 | Q8WWL7 | 8/20 | 0.56 |
| ▸ | RET | P07949 | 6/20 | 0.56 |
| ▸ | GSK3B | P49841 | 3/20 | 0.53 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.53 |
| ▸ | AURKA | O14965 | 1/20 | 0.44 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.44 |
| ▸ | TPX2 | Q9ULW0 | 1/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.42 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.42 |
| ▸ | CDK4 | P11802 | 1/20 | 0.42 |
| ▸ | CDK2 | P24941 | 1/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
| ▸ | BCR | P11274 | 1/20 | 0.41 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7481773 | 0.79 | MAPK14 (0.58) | CCNB2CDK1CCNB1CCNB3RET | |
| SCHEMBL6795873 | 0.78 | MAPK14 (0.49) | CCNB2CDK1CCNB1CCNB3RET | |
| SCHEMBL5256587 | 0.73 | CCNB2 (0.56) | CCNB2CDK1CCNB1CCNB3RET | |
| SCHEMBL5258455 | 0.73 | CCNB2 (0.59) | CCNB2CDK1CCNB1CCNB3RET | |
| SCHEMBL6581932 | 0.72 | MAPK14 (0.51) | RETAURKACDK2KDR | |
| SCHEMBL7475168 | 0.72 | CCNB2 (0.55) | CCNB2CDK1CCNB1CCNB3RET | |
| SCHEMBL3769898 | 0.72 | CCNB2 (1.00) | CCNB2CDK1CCNB1CCNB3RET | |
| SCHEMBL4373707 | 0.72 | ABL1 (0.72) | CCNB2CDK1CCNB1CCNB3RET | |
| SCHEMBL6579207 | 0.72 | MAPK14 (0.53) | CDK2 | |
| SCHEMBL21317784 | 0.71 | TGFBR1 (0.41) | RETGSK3BDYRK1AAURKACDK4 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1140083-A4 | NOVEL COMPOUNDS | SMITHKLINE BEECHAM CORP (US) | 2004-01-02 | — | — | EP | claimed |
| US-6469018-B1 | INHIBITING CYTOKINES AND THE TREATMENT OF A CYTOKINE MEDIATED DISEASE, BY ADMINISTRATION OF COMPOUNDS SUCH AS:2-(4-FLUOROPHENYL)-3-(2-METHYLTHIOPYRIMIDIN-4-YL)PYRIDINE | SMITHKLINE BEECHAM CORPORATION | 2002-10-22 | — | — | US | claimed |
| EP-1140083-A1 | NOVEL COMPOUNDS | SmithKline Beecham Corporation (US) | 2001-10-10 | — | — | EP | claimed |
| WO-2000040243-A1 | NOVEL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-07-13 | — | — | WO | claimed |
| EP-1140083-A4 | NOVEL COMPOUNDS | SMITHKLINE BEECHAM CORP (US) | 2004-01-02 | — | — | EP | disclosed |
| US-6469018-B1 | INHIBITING CYTOKINES AND THE TREATMENT OF A CYTOKINE MEDIATED DISEASE, BY ADMINISTRATION OF COMPOUNDS SUCH AS:2-(4-FLUOROPHENYL)-3-(2-METHYLTHIOPYRIMIDIN-4-YL)PYRIDINE | SMITHKLINE BEECHAM CORPORATION | 2002-10-22 | — | — | US | disclosed |
| EP-1140083-A1 | NOVEL COMPOUNDS | SmithKline Beecham Corporation (US) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000040243-A1 | NOVEL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-07-13 | — | — | WO | disclosed |