Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGTR1 | P30556 | 1/20 | 0.35 |
| ▸ | FNTA | P49354 | 1/20 | 0.35 |
| ▸ | FNTB | P49356 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | AVPR1B | P47901 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 3/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5136714 | 0.92 | KAT8 (0.36) | AGTR1FNTAFNTBAVPR1BHDAC1 | |
| SCHEMBL5134721 | 0.92 | SMN1; SMN2 (0.39) | AGTR1FNTAFNTBALDH1A1SMN1; SMN2 | |
| SCHEMBL5212722 | 0.88 | AGTR1 (0.43) | AGTR1ALDH1A1KDM4EHDAC1RORC | |
| SCHEMBL5135282 | 0.88 | ALDH1A1 (0.37) | AGTR1ALDH1A1KDM4ENPSR1SMN1; SMN2 | |
| SCHEMBL5137530 | 0.88 | ALDH1A1 (0.38) | AGTR1ALDH1A1KDM4ENPSR1SMN1; SMN2 | |
| SCHEMBL5212718 | 0.85 | AGTR1 (0.38) | AGTR1FNTAFNTBAVPR1BRORC | |
| SCHEMBL5136034 | 0.84 | CXCR3 (0.36) | — | |
| SCHEMBL5182726 | 0.84 | SIRT2 (0.37) | ALDH1A1SMN1; SMN2AVPR1BBCHETDP1 | |
| SCHEMBL5134947 | 0.82 | TSHR (0.37) | AGTR1ALDH1A1KDM4ERORCBCHE | |
| SCHEMBL5182730 | 0.82 | TDP1 (0.36) | ALDH1A1KDM4ENPSR1SMN1; SMN2BCHE |
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 |