Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CCR1 | P32246 | 2/20 | 0.34 |
| ▸ | PYGL | P06737 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.33 |
| ▸ | S1PR5 | Q9H228 | 3/20 | 0.33 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.33 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | BTK | Q06187 | 1/20 | 0.32 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.32 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.32 |
| ▸ | PRCP | P42785 | 1/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.32 |
| ▸ | MC4R | P32245 | 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 | |
|---|---|---|---|---|
| SCHEMBL17532296 | 1.00 | ALDH1A1 (0.35) | ALDH1A1LMNAMAPTCCR1PYGL | |
| SCHEMBL17834651 | 0.91 | ENPP2 (0.37) | PYGLENPP2ITGB3ITGA2BPRCP | |
| SCHEMBL19485685 | 0.91 | ENPP2 (0.37) | PYGLENPP2ITGB3ITGA2BPRCP | |
| SCHEMBL17532286 | 0.90 | ALDH1A1 (0.39) | ALDH1A1LMNAMAPTCCR1PYGL | |
| SCHEMBL17834451 | 0.89 | CCR1 (0.36) | CCR1PYGLS1PR1S1PR5S1PR4 | |
| SCHEMBL17532299 | 0.89 | PYGL (0.31) | PYGLENPP2ITGB3ITGA2BPRCP | |
| SCHEMBL22167419 | 0.89 | PYGL (0.31) | PYGLENPP2ITGB3ITGA2BPRCP | |
| SCHEMBL22167227 | 0.88 | CCR1 (0.39) | ALDH1A1LMNAMAPTCCR1PYGL | |
| SCHEMBL17532282 | 0.88 | CCR1 (0.39) | ALDH1A1LMNAMAPTCCR1PYGL | |
| SCHEMBL22167437 | 0.87 | CCR1 (0.34) | ALDH1A1LMNAMAPTCCR1PYGL |
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-3172199-B1 | PYRIMIDINE DERIVATIVES AS GLP-1 RECEPTOR MODULATORS | CELGENE INT II SARL (CH) | 2020-07-01 | — | — | EP | disclosed |