Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.37 |
| ▸ | CRHR1 | P34998 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | PPARD | Q03181 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5071417 | 0.94 | TSHR (0.39) | TSHRSMPD1CRHR1GAACYP19A1 | |
| SCHEMBL5137583 | 0.92 | HSP90AA1 (0.39) | TSHRCRHR1GAAMAPT | |
| SCHEMBL5134566 | 0.88 | TSHR (0.41) | TSHRALDH1A1KDM4EBCHEPDE4B | |
| SCHEMBL5135337 | 0.88 | TSHR (0.37) | TSHRGAALMNAPPARDBCHE | |
| SCHEMBL1912805 | 0.88 | PTGES (0.37) | TSHRTP53MAPTHTT | |
| SCHEMBL648843 | 0.88 | PTGES (0.37) | TSHRTP53MAPTHTT | |
| SCHEMBL648844 | 0.88 | PTGES (0.37) | TSHRTP53MAPTHTT | |
| SCHEMBL5134768 | 0.87 | TSHR (0.41) | TSHRGAATP53MAPTSMN1; SMN2 | |
| SCHEMBL5135939 | 0.86 | HSP90AA1 (0.38) | TSHRCRHR1GAAMAPT | |
| SCHEMBL5074803 | 0.85 | MEN1 (0.36) | TSHRGAATP53SMN1; SMN2ALDH1A1 |
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 |