Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.55 |
| ▸ | CCNB2 | O95067 | 5/20 | 0.42 |
| ▸ | CDK1 | P06493 | 5/20 | 0.42 |
| ▸ | CCNB1 | P14635 | 5/20 | 0.42 |
| ▸ | CCNB3 | Q8WWL7 | 5/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | JAK2 | O60674 | 5/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | KIT | P10721 | 2/20 | 0.40 |
| ▸ | FLT3 | P36888 | 2/20 | 0.40 |
| ▸ | EIF2AK2 | P19525 | 3/20 | 0.39 |
| ▸ | AURKA | O14965 | 2/20 | 0.39 |
| ▸ | CDK4 | P11802 | 2/20 | 0.39 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.39 |
| ▸ | CCND1 | P24385 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12781109 | 0.89 | BACE1 (0.58) | BACE1CCNB2CDK1CCNB1CCNB3 | |
| SCHEMBL12779078 | 0.83 | BACE1 (0.63) | BACE1MEN1KMT2ALMNAMAPT | |
| SCHEMBL12780858 | 0.72 | FLT3 (0.66) | BACE1MEN1KMT2ALMNAMAPT | |
| SCHEMBL12781108 | 0.72 | HSD17B10 (0.53) | BACE1CCNB2CDK1CCNB1CCNB3 | |
| SCHEMBL4991374 | 0.71 | BACE1 (1.00) | BACE1AXL | |
| SCHEMBL4991658 | 0.67 | BACE1 (1.00) | BACE1AXL | |
| SCHEMBL12781005 | 0.65 | BACE1 (0.59) | BACE1CCNB2CDK1CCNB1CCNB3 | |
| SCHEMBL12780937 | 0.65 | BACE1 (0.58) | BACE1CCNB2CDK1CCNB1CCNB3 | |
| SCHEMBL4037722 | 0.64 | FLT3 (0.68) | CCNB2CDK1CCNB1CCNB3JAK2 | |
| SCHEMBL12781074 | 0.63 | BACE1 (0.55) | BACE1CCNB2CDK1CCNB1CCNB3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1562589-B1 | DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMA (US) | 2009-01-07 | — | — | EP | disclosed |