Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | SRC | P12931 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | HTR3A | P46098 | 2/20 | 0.35 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.35 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1384025 | 0.87 | EGFR (0.43) | EGFRSRCSIGMAR1 | |
| SCHEMBL28032396 | 0.78 | HRH3 (0.62) | EGFRHRH3DRD3ABL1SRC | |
| SCHEMBL2436023 | 0.77 | HRH3 (0.54) | EGFRHRH3SRCHRH1SIGMAR1 | |
| SCHEMBL30209182 | 0.73 | HRH3 (0.49) | EGFRHRH3DRD3HRH1CYP2D6 | |
| SCHEMBL28126949 | 0.70 | LTA4H (0.53) | EGFRHRH3 | |
| SCHEMBL28032867 | 0.69 | HRH3 (0.62) | EGFRHRH3DRD3HRH1SIGMAR1 | |
| SCHEMBL5076864 | 0.69 | EGFR (0.44) | EGFRHRH3ABL1SRC | |
| SCHEMBL30979868 | 0.69 | HRH3 (0.54) | EGFRHRH3SRCHRH1SIGMAR1 | |
| SCHEMBL3067381 | 0.69 | HRH3 (0.54) | EGFRHRH3SRCHRH1SIGMAR1 | |
| SCHEMBL7837580 | 0.67 | HRH3 (0.53) | EGFRHRH3TLR9TLR7ACHE |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4834282-B2 | — | — | 2011-12-14 | — | — | JP | claimed |
| EP-1315705-A1 | BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF | BOEHRINGER INGELHEIM ZENTRALE GMBH (DE) | 2003-06-04 | — | — | EP | claimed |
| WO-2002018351-A1 | BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2002-03-07 | — | — | WO | claimed |
| EP-1315705-A1 | BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF | BOEHRINGER INGELHEIM ZENTRALE GMBH (DE) | 2003-06-04 | — | — | EP | disclosed |
| WO-2002018351-A1 | BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2002-03-07 | — | — | WO | disclosed |