Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | C5AR1 | P21730 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 4/20 | 0.42 |
| ▸ | HTR2C | P28335 | 4/20 | 0.42 |
| ▸ | HTR2B | P41595 | 4/20 | 0.42 |
| ▸ | CTSL | P07711 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5136744 | 0.95 | C5AR1 (0.47) | C5AR1TP53POLBHTR2AHTR2C | |
| SCHEMBL5134502 | 0.94 | C5AR1 (0.46) | C5AR1TP53POLBHTR2AHTR2C | |
| SCHEMBL4766677 | 0.94 | C5AR1 (0.56) | C5AR1TP53POLBHTR2AHTR2C | |
| SCHEMBL5147409 | 0.93 | C5AR1 (0.54) | C5AR1TP53POLBHTR2AHTR2C | |
| SCHEMBL5136937 | 0.93 | C5AR1 (0.44) | C5AR1TP53POLBHTR2AHTR2C | |
| SCHEMBL5152680 | 0.93 | C5AR1 (0.44) | C5AR1TP53POLBHTR2AHTR2C | |
| SCHEMBL5136159 | 0.92 | C5AR1 (0.48) | C5AR1TP53POLBHTR2AHTR2C | |
| SCHEMBL5150126 | 0.92 | C5AR1 (0.47) | C5AR1TP53POLBHTR2AHTR2C | |
| SCHEMBL5136535 | 0.92 | C5AR1 (0.57) | C5AR1TP53POLBHTR2AHTR2C | |
| SCHEMBL5149996 | 0.92 | C5AR1 (0.49) | C5AR1TP53POLBHTR2AHTR2C |
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 |