Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 2/20 | 0.40 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CCNC | P24863 | 10/20 | 0.36 |
| ▸ | CDK8 | P49336 | 10/20 | 0.36 |
| ▸ | ERN1 | O75460 | 3/20 | 0.36 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.34 |
| ▸ | CDK9 | P50750 | 1/20 | 0.34 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.34 |
| ▸ | XDH | P47989 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2556296 | 0.79 | SLC22A12 (0.44) | RPS6KA3ALDH1A1CCNCCDK8ERN1 | |
| SCHEMBL11379135 | 0.79 | SLC22A12 (0.46) | CACNA1BRPS6KA3ALDH1A1CCNCCDK8 | |
| SCHEMBL19126830 | 0.79 | SLC22A12 (0.44) | CACNA1BRPS6KA3ALDH1A1CCNCCDK8 | |
| SCHEMBL11383161 | 0.79 | CCNC (0.46) | RPS6KA3ALDH1A1CCNCCDK8ERN1 | |
| SCHEMBL29681568 | 0.78 | CCNT1 (0.42) | CCNCCDK8ERN1CCNT1CDK9 | |
| SCHEMBL30479910 | 0.75 | SLC22A12 (0.49) | RPS6KA3ALDH1A1CCNCCDK8ERN1 | |
| SCHEMBL7922800 | 0.75 | XDH (0.49) | ALDH1A1XDH | |
| SCHEMBL2559873 | 0.74 | MKNK1 (0.51) | CCNCCDK8ERN1 | |
| SCHEMBL15652488 | 0.72 | SLC22A12 (0.48) | RPS6KA3ALDH1A1CCNCCDK8ERN1 | |
| SCHEMBL25246551 | 0.71 | CYP17A1 (0.39) | RPS6KA3CCNCCDK8ERN1CCNT1 |
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-2004017966-A1 | FIVE-MEMBERED HETEROCYCLIC COMPOUNDS IN THE TREATMENT OF CHRONIC AND ACUTE PAIN | IONIX PHARMACEUTICALS LIMITED (GB) | 2004-03-04 | — | — | WO | disclosed |