Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | LTB4R2 | Q9NPC1 | 2/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.35 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 2/20 | 0.32 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | STAT3 | P40763 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5134566 | 0.94 | TSHR (0.41) | TSHRLTB4R2HSD11B1C5AR1BCHE | |
| SCHEMBL5136148 | 0.90 | OPRK1 (0.40) | TSHRC5AR1BCHENR1H3PDE4B | |
| SCHEMBL5136829 | 0.89 | TSHR (0.39) | TSHRHSD11B1C5AR1NR1H3PDE4B | |
| SCHEMBL5071417 | 0.89 | TSHR (0.39) | TSHRLTB4R2HSD11B1BCHEPDE4B | |
| SCHEMBL650145 | 0.86 | LPAR1 (0.40) | TSHRALDH1A1KDM4EMAPTSMN1; SMN2 | |
| SCHEMBL5136862 | 0.86 | C5AR1 (0.36) | TSHRLTB4R2HSD11B1C5AR1ALDH1A1 | |
| SCHEMBL5136261 | 0.86 | TSHR (0.35) | TSHRLTB4R2C5AR1CXCR3 | |
| SCHEMBL5135184 | 0.86 | TSHR (0.38) | TSHRHSD11B1C5AR1NR1H3PDE4B | |
| SCHEMBL4763850 | 0.86 | TSHR (0.35) | TSHRLTB4R2C5AR1CXCR3 | |
| SCHEMBL5134818 | 0.85 | TSHR (0.39) | TSHRC5AR1PDE4B |
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 |