Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TOP1 | P11387 | 7/20 | 0.38 |
| ▸ | CKS1B | P61024 | 3/20 | 0.35 |
| ▸ | SKP2 | Q13309 | 3/20 | 0.35 |
| ▸ | GLO1 | Q04760 | 2/20 | 0.35 |
| ▸ | PDE4A | P27815 | 3/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
| ▸ | CCR1 | P32246 | 1/20 | 0.32 |
| ▸ | CCR8 | P51685 | 1/20 | 0.32 |
| ▸ | PIK3R2 | O00459 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | COMT | P21964 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16582575 | 0.85 | TOP1 (0.38) | TOP1CKS1BSKP2GLO1PDE4A | |
| SCHEMBL19859927 | 0.82 | CCR1 (0.38) | CCR1CCR8ALDH1A1COMT | |
| SCHEMBL16582578 | 0.77 | KDM4E (0.33) | ALDH1A1 | |
| SCHEMBL16582720 | 0.75 | KDM4E (0.43) | CCR1CCR8ALDH1A1COMT | |
| SCHEMBL14461472 | 0.72 | TOP1 (0.50) | TOP1PDE4ACCR1CCR8ALDH1A1 | |
| SCHEMBL16582736 | 0.71 | HSP90AA1 (0.42) | CCR1CCR8ALDH1A1 | |
| SCHEMBL14461484 | 0.70 | TOP1 (0.48) | TOP1PDE4ACCR1CCR8ALDH1A1 | |
| SCHEMBL16582584 | 0.68 | CCR1 (0.37) | CCR1CCR8COMT | |
| SCHEMBL25792185 | 0.68 | RARB (0.41) | TOP1 | |
| SCHEMBL24406913 | 0.68 | TOP1 (0.46) | TOP1CKS1BSKP2GLO1PDE4A |
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-9893299-B2 | Heterocyclic compounds | MERCK PATENT GMBH (DE) | 2018-02-13 | — | — | US | disclosed |