Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALM1 | P0DP23 | 1/20 | 0.45 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.45 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.44 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 3/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | F2R | P25116 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ATP4A | P20648 | 1/20 | 0.39 |
| ▸ | ATP4B | P51164 | 1/20 | 0.39 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5170566 | 0.97 | CALM1 (0.43) | CALM1CAMKK2C5AR1TLR7BCHE | |
| SCHEMBL5134931 | 0.97 | CALM1 (0.44) | CALM1CAMKK2C5AR1TLR7BCHE | |
| SCHEMBL5137491 | 0.96 | CALM1 (0.45) | CALM1CAMKK2C5AR1TLR7BCHE | |
| SCHEMBL5074293 | 0.96 | CALM1 (0.45) | CALM1CAMKK2C5AR1TLR7BCHE | |
| SCHEMBL5137571 | 0.95 | POLB (0.42) | CALM1CAMKK2C5AR1TLR7HSP90AA1 | |
| SCHEMBL5072289 | 0.95 | ABCB1 (0.42) | CALM1CAMKK2C5AR1TLR7BCHE | |
| SCHEMBL5135433 | 0.94 | C5AR1 (0.46) | CALM1CAMKK2C5AR1TLR7BCHE | |
| SCHEMBL5135383 | 0.93 | C5AR1 (0.45) | CALM1CAMKK2C5AR1TLR7BCHE | |
| SCHEMBL5138089 | 0.93 | TSHR (0.46) | C5AR1BCHETSHRATP4AATP4B | |
| SCHEMBL649782 | 0.92 | C5AR1 (0.44) | C5AR1BCHENR1H3MAPTTSHR |
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 |