Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 10/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5136029 | 0.93 | BCHE (0.46) | BCHE | |
| SCHEMBL5136652 | 0.93 | TP53 (0.39) | TP53POLBTSHRKDM4EMEN1 | |
| SCHEMBL5075074 | 0.87 | TSHR (0.46) | TSHRKMT2ABCHEHSD11B1 | |
| SCHEMBL5135696 | 0.87 | TSHR (0.40) | TSHRHSD11B1 | |
| SCHEMBL5135197 | 0.87 | TSHR (0.40) | TSHRKDM4EMEN1KMT2ABCHE | |
| SCHEMBL5135727 | 0.86 | TSHR (0.39) | TSHRBCHEHSD11B1 | |
| SCHEMBL5135920 | 0.86 | BCHE (0.44) | TSHRBCHEHSD11B1 | |
| SCHEMBL5072355 | 0.84 | HSD11B1 (0.45) | TSHRBCHEHSD11B1 | |
| SCHEMBL5072212 | 0.84 | BCHE (0.49) | TSHRBCHEHSD11B1 | |
| SCHEMBL5135195 | 0.84 | TSHR (0.38) | TSHRBCHEHSD11B1 |
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 |