Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACLY | P53396 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 2/20 | 0.31 |
| ▸ | PRKCA | P17252 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL6587800 | 1.00 | ACLY (0.34) | ACLYKMT2AGSK3BPRKCAKDM4E | |
| Trifluoroacetic Acid SCHEMBL6588835 | 0.86 | CHEK1 (0.39) | ACLYKMT2AGSK3BPRKCAKDM4E | |
| Trifluoroacetic Acid SCHEMBL6588928 | 0.84 | HSP90AA1 (0.34) | HSP90AA1 | |
| Trifluoroacetic Acid SCHEMBL6588931 | 0.84 | HSP90AA1 (0.34) | HSP90AA1 | |
| Trifluoroacetic Acid SCHEMBL6590532 | 0.83 | CDK2 (0.38) | ACLYKMT2AGSK3BKDM4EHSP90AA1 | |
| SCHEMBL6588770 | 0.80 | KDM4E (0.41) | ACLYKMT2AGSK3BPRKCAKDM4E | |
| Trifluoroacetic Acid SCHEMBL6585019 | 0.79 | PRKCA (0.37) | GSK3BPRKCAHSP90AA1 | |
| SCHEMBL6589113 | 0.79 | CHEK1 (0.44) | KMT2AGSK3BPRKCAKDM4E | |
| SCHEMBL6588767 | 0.79 | GSK3B (0.35) | KMT2AGSK3BPRKCAKDM4E | |
| Trifluoroacetic Acid SCHEMBL6590827 | 0.78 | PIM1 (0.35) | ACLYGSK3BKDM4EHSP90AA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1183252-B1 | PHARMACEUTICALLY ACTIVE COMPOUNDS | ASTRAZENECA AB (SE) | 2004-02-18 | — | — | EP | disclosed |
| EP-1183252-A1 | NEW PHARMACEUTICALLY ACTIVE COMPOUNDS | AstraZeneca AB (SE) | 2002-03-06 | — | — | EP | disclosed |
| WO-2000071537-A1 | NEW PHARMACEUTICALLY ACTIVE COMPOUNDS | ASTRAZENECA AB (SE) | 2000-11-30 | — | — | WO | disclosed |