Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | QPCT | Q16769 | 3/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.38 |
| ▸ | CDK8 | P49336 | 1/20 | 0.38 |
| ▸ | NEK2 | P51955 | 1/20 | 0.38 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.38 |
| ▸ | KHK | P50053 | 3/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | SRC | P12931 | 1/20 | 0.35 |
| ▸ | BRAF | P15056 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL23320549 | 0.82 | CHEK1 (0.41) | CHEK1AURKACSNK1A1CDK8NEK2 | |
| SCHEMBL23320382 | 0.75 | CHEK1 (0.39) | CHEK1AURKACSNK1A1CDK8NEK2 | |
| SCHEMBL23320440 | 0.71 | NAMPT (0.63) | KHKRAB9AHTT | |
| SCHEMBL23320352 | 0.70 | NAMPT (0.42) | QPCTBRAFNPC1RAB9ALMNA | |
| SCHEMBL23320350 | 0.67 | CHEK1 (0.62) | CHEK1AURKACSNK1A1CDK8NEK2 | |
| SCHEMBL23320564 | 0.65 | NAMPT (0.53) | KDM4ENPC1RAB9ALMNAALDH1A1 | |
| SCHEMBL27958145 | 0.65 | KDR (0.41) | QPCTAURKANEK2LIMK1CYP1A2 | |
| SCHEMBL23320542 | 0.64 | CA9 (0.49) | CHEK1AURKACSNK1A1CDK8NEK2 | |
| SCHEMBL23320498 | 0.64 | KCNA5 (0.37) | QPCTPOLBNPC1RAB9AMAPT | |
| SCHEMBL1335585 | 0.64 | MMP13 (0.50) | CYP2C19KDM4ENPC1RAB9AALDH1A1 |
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-3818053-A1 | FUSED RING COMPOUND HAVING UREA STRUCTURE | Sanford Burnham Prebys Medical Discovery Institute (US) | 2021-05-12 | — | — | EP | disclosed |