Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 8/20 | 0.40 |
| ▸ | PDE2A | O00408 | 1/20 | 0.39 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.39 |
| ▸ | CDK4 | P11802 | 5/20 | 0.38 |
| ▸ | CCND1 | P24385 | 4/20 | 0.38 |
| ▸ | CDK6 | Q00534 | 3/20 | 0.38 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.38 |
| ▸ | CDK2 | P24941 | 2/20 | 0.38 |
| ▸ | CCND3 | P30281 | 2/20 | 0.38 |
| ▸ | CDK7 | P50613 | 2/20 | 0.38 |
| ▸ | CCNH | P51946 | 2/20 | 0.38 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.38 |
| ▸ | CDK1 | P06493 | 1/20 | 0.38 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.38 |
| ▸ | CDK9 | P50750 | 1/20 | 0.38 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | JAK3 | P52333 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | PRNP | P04156 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3266238 | 1.00 | DPP4 (0.40) | DPP4PDE2APDE3BCDK4CCND1 | |
| SCHEMBL3262494 | 0.83 | BTK (0.46) | DPP4LCKJAK3EGFRBTK | |
| SCHEMBL3260572 | 0.83 | DPP4 (0.40) | DPP4PDE2APDE3BLCKJAK3 | |
| SCHEMBL3260564 | 0.83 | DPP4 (0.40) | DPP4PDE2APDE3BLCKJAK3 | |
| SCHEMBL3264387 | 0.82 | SYK (0.48) | CDK4CCND1CDK6CCNA2CDK2 | |
| SCHEMBL3264383 | 0.82 | SYK (0.48) | CDK4CCND1CDK6CCNA2CDK2 | |
| SCHEMBL3263368 | 0.79 | DPP4 (0.40) | DPP4PDE2APDE3BNPC1PRNP | |
| SCHEMBL3263367 | 0.79 | DPP4 (0.40) | DPP4PDE2APDE3BNPC1PRNP | |
| SCHEMBL2492737 | 0.75 | BTK (0.41) | CDK4CCND1CDK6CCND3CCNT1 | |
| SCHEMBL3260836 | 0.73 | SYK (0.42) | CDK4CCND1CDK6CCNA2CDK2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010068806-A1 | AMIDE DERIVATIVES AS BTK INHIBITORS IN THE TREATMENT OF ALLERGIC, AUTOIMMUNE AND INFLAMMATORY DISORDERS AS WELL AS CANCER | CGI PHARMACEUTICALS, INC. (US) | 2010-06-17 | — | — | WO | claimed |