Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.77 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | G6PD | P11413 | 1/20 | 0.45 |
| ▸ | TYMP | P19971 | 2/20 | 0.43 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL31301123 | 0.86 | GPR84 (0.67) | GPR84ALDH1A1CYP2D6CYP2C19G6PD | |
| SCHEMBL8709578 | 0.75 | GPR84 (0.49) | GPR84ALDH1A1CYP2D6CYP2C19TYMP | |
| SCHEMBL5443895 | 0.75 | GPR84 (0.54) | GPR84ALDH1A1CYP2D6CYP2C19G6PD | |
| SCHEMBL9412643 | 0.71 | GPR84 (0.50) | GPR84G6PDTYMPCTDSP1KDM4E | |
| SCHEMBL31085135 | 0.69 | ALDH1A1 (0.60) | GPR84ALDH1A1CYP2D6CYP2C19KDM4E | |
| SCHEMBL4447661 | 0.68 | GPR84 (0.47) | GPR84ALDH1A1CYP2D6CYP2C19G6PD | |
| SCHEMBL8451398 | 0.66 | GPR84 (0.40) | GPR84ALDH1A1CYP2D6CYP2C19G6PD | |
| SCHEMBL12803960 | 0.65 | GPR84 (0.42) | GPR84G6PDTYMPKDM4ELMNA | |
| SCHEMBL9254063 | 0.64 | GPR84 (0.65) | GPR84TYMPKDM4E | |
| SCHEMBL4561128 | 0.61 | G6PD (0.53) | GPR84G6PDTYMPKDM4E |
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-0686155-B1 | XANTHINE DERIVATIVES AS ADENOSINE A1 RECEPTOR ANTAGONISTS | MERRELL PHARMA INC (US) | 1998-07-29 | — | — | EP | disclosed |
| EP-0449175-B1 | Selective adenosine receptor agents | MERRELL PHARMA INC (US) | 1997-07-30 | — | — | EP | disclosed |
| EP-0449175-A2 | Selective adenosine receptor agents | MERRELL PHARMACEUTICALS INC. (US) | 1991-10-02 | — | — | EP | disclosed |