Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK8 | P49336 | 1/20 | 0.43 |
| ▸ | REN | P00797 | 2/20 | 0.40 |
| ▸ | IKBKB | O14920 | 2/20 | 0.40 |
| ▸ | CHUK | O15111 | 2/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.39 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.39 |
| ▸ | KRAS | P01116 | 2/20 | 0.38 |
| ▸ | AHR | P35869 | 1/20 | 0.37 |
| ▸ | CBFB | Q13951 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | MTOR | P42345 | 1/20 | 0.34 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11353810 | 0.78 | HTR2C (0.45) | RECQLPDCD1CD274KRASCBFB | |
| SCHEMBL15712028 | 0.73 | PRKCI (0.50) | RENAHRKEAP1NUDT1GRM5 | |
| SCHEMBL1411265 | 0.72 | RECQL (0.61) | RECQLPDCD1CD274KRASCBFB | |
| SCHEMBL29393772 | 0.72 | RECQL (0.61) | RECQLPDCD1CD274KRASCBFB | |
| SCHEMBL2412404 | 0.72 | RECQL (0.50) | RECQLPDCD1CD274KRASNUDT1 | |
| SCHEMBL2407289 | 0.71 | RECQL (0.53) | RECQLPDCD1CD274KRASGRM5 | |
| SCHEMBL4768794 | 0.70 | CYP1A2 (0.44) | RECQL | |
| SCHEMBL8184254 | 0.70 | RECQL (0.51) | RECQLPDCD1CD274KRASCBFB | |
| SCHEMBL31492457 | 0.70 | AHR (0.60) | RENAHRKEAP1PDPK1BACE1 | |
| SCHEMBL31688976 | 0.70 | AXL (0.47) | RENAHRKEAP1PDPK1NUDT1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8114882-B2 | Antitumor agents; kinase inhibitors; angiogenesis inhibitors; arteriosclerosis ; antiinflammatory agents | MERCK PATENT GMBH (DE) | 2012-02-14 | — | — | US | disclosed |