Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | C5AR1 | P21730 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.33 |
| ▸ | SLC6A9 | P48067 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CRHBP | P24387 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 3/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | GNRHR | P30968 | 1/20 | 0.32 |
| ▸ | AVPR1B | P47901 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | PTGES | O14684 | 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 | |
|---|---|---|---|---|
| SCHEMBL648105 | 0.92 | C5AR1 (0.38) | C5AR1HDAC1SLC6A9MEN1ALDH1A1 | |
| SCHEMBL5633347 | 0.89 | C5AR1 (0.40) | C5AR1HDAC1PTGDR2MAPTCNR2 | |
| SCHEMBL648473 | 0.89 | C5AR1 (0.37) | C5AR1HDAC1SLC6A9MEN1ALDH1A1 | |
| SCHEMBL5633847 | 0.86 | C5AR1 (0.53) | C5AR1MEN1ALDH1A1LMNAMAPT | |
| SCHEMBL1913025 | 0.86 | C5AR1 (0.41) | C5AR1HDAC1ALDH1A1LMNABCHE | |
| SCHEMBL5218869 | 0.86 | C5AR1 (0.37) | C5AR1HDAC1PTGDR2BCHECNR2 | |
| SCHEMBL651698 | 0.86 | NPC1 (0.36) | MEN1ALDH1A1LMNAMAPTCRHBP | |
| SCHEMBL5137557 | 0.85 | C5AR1 (0.42) | C5AR1SLC6A9MEN1ALDH1A1LMNA | |
| SCHEMBL650630 | 0.85 | MKNK1 (0.36) | MEN1ALDH1A1LMNAMAPTCRHBP | |
| SCHEMBL648650 | 0.84 | PDK1 (0.35) | SLC6A9ALDH1A1MAPTHTTNPSR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1490044-A4 | COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS | NEUROGEN CORP (US) | 2008-04-16 | — | — | EP | disclosed |
| EP-1490044-A1 | COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS | NEUROGEN CORPORATION (US) | 2004-12-29 | — | — | EP | disclosed |
| WO-2003084524-A1 | COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS | NEUROGEN CORPORATION (US) | 2003-10-16 | — | — | WO | disclosed |