Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.42 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.41 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.41 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.38 |
| ▸ | CRHR1 | P34998 | 2/20 | 0.37 |
| ▸ | ATP4A | P20648 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5135705 | 0.95 | CALM1 (0.45) | C5AR1CALM1CAMKK2TLR7CRHR1 | |
| SCHEMBL5170566 | 0.94 | CALM1 (0.43) | C5AR1CALM1CAMKK2ALDH1A1HSD17B10 | |
| SCHEMBL5134931 | 0.92 | CALM1 (0.44) | C5AR1CALM1CAMKK2CYP3A4ALDH1A1 | |
| SCHEMBL5137571 | 0.92 | POLB (0.42) | C5AR1CALM1CAMKK2CYP1A2CYP3A4 | |
| SCHEMBL5074293 | 0.91 | CALM1 (0.45) | C5AR1CALM1CAMKK2CYP1A2CYP3A4 | |
| SCHEMBL5137491 | 0.91 | CALM1 (0.45) | C5AR1CALM1CAMKK2CYP1A2CYP3A4 | |
| SCHEMBL5135433 | 0.89 | C5AR1 (0.46) | C5AR1CALM1CAMKK2CYP1A2CYP3A4 | |
| SCHEMBL5138064 | 0.89 | C5AR1 (0.43) | C5AR1CYP3A4ALDH1A1HSD17B10CRHR1 | |
| SCHEMBL5135383 | 0.89 | C5AR1 (0.45) | C5AR1CALM1CAMKK2CYP1A2CYP3A4 | |
| SCHEMBL5136877 | 0.88 | C5AR1 (0.43) | ABCB1C5AR1ALDH1A1LMNAMEN1 |
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 |