Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | C5AR1 | P21730 | 1/20 | 0.39 |
| ▸ | BCL2L2 | Q92843 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | ATP4A | P20648 | 2/20 | 0.37 |
| ▸ | ATP4B | P51164 | 2/20 | 0.37 |
| ▸ | CASR | P41180 | 1/20 | 0.37 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.36 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 3/20 | 0.36 |
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | DRD3 | P35462 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5138077 | 0.92 | C5AR1 (0.39) | C5AR1BCL2L2TSHRKDM4EALDH1A1 | |
| SCHEMBL5136568 | 0.92 | CRHR1 (0.38) | C5AR1BCL2L2TSHRLMNAATP4A | |
| SCHEMBL5137164 | 0.91 | C5AR1 (0.44) | C5AR1TSHRKDM4EALDH1A1GAA | |
| SCHEMBL5135871 | 0.90 | ATP4A (0.44) | C5AR1TSHRKDM4EALDH1A1GAA | |
| SCHEMBL5136086 | 0.88 | C5AR1 (0.41) | C5AR1BCL2L2KDM4EGAACASR | |
| SCHEMBL5134684 | 0.88 | C5AR1 (0.41) | C5AR1BCL2L2TSHRKDM4EGAA | |
| SCHEMBL5075063 | 0.88 | TP53 (0.42) | C5AR1TSHRKDM4EALDH1A1GAA | |
| SCHEMBL5136763 | 0.87 | KDM4E (0.43) | C5AR1TSHRKDM4EALDH1A1GAA | |
| SCHEMBL5136000 | 0.87 | ATP4A (0.42) | C5AR1TSHRKDM4EALDH1A1GAA | |
| SCHEMBL5136839 | 0.87 | C5AR1 (0.42) | C5AR1BCL2L2TSHRKDM4EGAA |
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 |