Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP4 | P49662 | 1/20 | 0.36 |
| ▸ | CASP5 | P51878 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.35 |
| ▸ | BRS3 | P32247 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | GFER | P55789 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | DRD4 | P21917 | 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 | |
|---|---|---|---|---|
| SCHEMBL5730151 | 0.86 | HRH3 (0.48) | CASP1CASP4CASP5CYP1A2ALDH1A1 | |
| SCHEMBL5731587 | 0.85 | HRH3 (0.43) | CYP3A4TSHRALDH1A1HRH3TP53 | |
| SCHEMBL5731404 | 0.73 | POLB (0.44) | TSHRGFERALDH1A1HRH3MEN1 | |
| SCHEMBL5730937 | 0.69 | — | — | |
| SCHEMBL5732705 | 0.69 | KMT2A (0.48) | CYP2C9CYP2C19TSHRGFERALDH1A1 | |
| SCHEMBL5732829 | 0.68 | HRH3 (0.49) | CYP1A2CYP2C19ALDH1A1HRH3TP53 | |
| SCHEMBL8844090 | 0.67 | — | — | |
| SCHEMBL5731478 | 0.67 | KDM4E (0.44) | CASP1CASP4CASP5ALDH1A1HRH3 | |
| SCHEMBL5731045 | 0.65 | L3MBTL1 (0.39) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL18896261 | 0.65 | ALDH1A1 (0.52) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1651613-A1 | 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS | Aventis Pharmaceuticals, Inc. (US) | 2006-05-03 | — | — | EP | disclosed |
| WO-2005014555-A1 | 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS | AVENTIS PHARMACEUTICALS INC. (US) | 2005-02-17 | — | — | WO | disclosed |