Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK5 | Q00535 | 2/20 | 0.48 |
| ▸ | CDK2 | P24941 | 2/20 | 0.48 |
| ▸ | CDK4 | P11802 | 1/20 | 0.48 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.47 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.43 |
| ▸ | CDK9 | P50750 | 1/20 | 0.43 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.43 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | GRM5 | P41594 | 1/20 | 0.42 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5038597 | 0.92 | KEAP1 (0.51) | CDK5CDK2KEAP1CCNT1CDK9 | |
| SCHEMBL31106432 | 0.84 | KEAP1 (0.57) | KEAP1PDPK1GRM5HDAC1HDAC2 | |
| Trifluoroacetic Acid SCHEMBL4590414 | 0.73 | PDPK1 (0.79) | CDK5KEAP1PDPK1PARP1GRM5 | |
| Trifluoroacetic Acid SCHEMBL29782684 | 0.73 | PDPK1 (0.79) | CDK5KEAP1PDPK1PARP1GRM5 | |
| Trifluoroacetic Acid SCHEMBL27734073 | 0.73 | PDPK1 (0.79) | CDK5KEAP1PDPK1PARP1GRM5 | |
| Trifluoroacetic Acid SCHEMBL28172902 | 0.73 | KEAP1 (0.56) | KEAP1PDPK1GRM5HDAC1HDAC2 | |
| SCHEMBL28917070 | 0.72 | CDK2 (0.56) | CDK5CDK2CDK4CCNT1CDK9 | |
| SCHEMBL31074994 | 0.72 | KMT2A (0.61) | — | |
| SCHEMBL62620 | 0.72 | KMT2A (0.61) | — | |
| Hydrochloric Acid SCHEMBL3160630 | 0.71 | KMT2A (0.60) | — |
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-1896014-A2 | CHEMICAL COMPOUNDS | Smithkline Beecham Corporation (US) | 2008-03-12 | — | — | EP | disclosed |
| WO-2007005534-A2 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-01-11 | — | — | WO | disclosed |