Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | PDK1 | Q15118 | 6/20 | 0.33 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.32 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.30 |
| ▸ | UBE2M | P61081 | 1/20 | 0.30 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.30 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5073855 | 0.92 | TSHR (0.36) | TSHRC5AR1KMT2AKDM4EMEN1 | |
| SCHEMBL5134566 | 0.88 | TSHR (0.41) | TSHRPDK1C5AR1KMT2AKDM4E | |
| SCHEMBL5134818 | 0.87 | TSHR (0.39) | TSHRPDK1C5AR1PDE4B | |
| SCHEMBL5135314 | 0.86 | CXCR3 (0.33) | TSHRC5AR1ESR1 | |
| SCHEMBL5136624 | 0.83 | TSHR (0.40) | TSHRC5AR1KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL5136271 | 0.83 | MEN1 (0.37) | PDK1KMT2AKDM4EMEN1UBE2M | |
| SCHEMBL5136148 | 0.82 | OPRK1 (0.40) | TSHRC5AR1PDE4B | |
| SCHEMBL5137355 | 0.82 | TSHR (0.39) | TSHRC5AR1PDE4B | |
| SCHEMBL5135509 | 0.80 | TSHR (0.38) | TSHRPDK1C5AR1KMT2AKDM4E | |
| SCHEMBL5134768 | 0.80 | TSHR (0.41) | TSHRC5AR1KMT2AKDM4EMEN1 |
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 |