Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.40 |
| ▸ | TYR | P14679 | 1/20 | 0.40 |
| ▸ | SLC1A2 | P43004 | 3/20 | 0.39 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.39 |
| ▸ | MC4R | P32245 | 2/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.36 |
| ▸ | DRD1 | P21728 | 2/20 | 0.36 |
| ▸ | DRD3 | P35462 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL26698246 | 0.81 | CHRM1 (0.56) | ALDH1A1CHRM2CHRM1SLC1A2SLC1A3 | |
| SCHEMBL31485397 | 0.75 | CHRM2 (0.37) | CHRM2CHRM1SLC1A2SLC1A3MC4R | |
| SCHEMBL7345340 | 0.72 | CHRM2 (0.40) | ALDH1A1CHRM2CHRM1SLC1A2SLC1A3 | |
| SCHEMBL3641753 | 0.71 | SLC1A2 (0.62) | ALDH1A1CHRM1SLC1A2SLC1A3CYP1A2 | |
| SCHEMBL11903577 | 0.71 | FFAR1 (0.48) | ALDH1A1CHRM2CHRM1SLC1A2SLC1A3 | |
| SCHEMBL1007435 | 0.69 | TSHR (0.59) | ALDH1A1CHRM2CHRM1SLC6A3GAA | |
| SCHEMBL1007437 | 0.69 | TSHR (0.59) | ALDH1A1CHRM2CHRM1SLC6A3GAA | |
| SCHEMBL1007926 | 0.69 | TSHR (0.59) | ALDH1A1CHRM2CHRM1SLC6A3GAA | |
| SCHEMBL27697425 | 0.69 | POLB (0.45) | ALDH1A1CHRM2CHRM1SLC1A2SLC1A3 | |
| SCHEMBL12137582 | 0.68 | LMNA (0.69) | ALDH1A1CHRM2CHRM1SLC1A2SLC1A3 |
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-1551841-A1 | PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS | SmithKline Beecham Corporation (US) | 2005-07-13 | — | — | EP | disclosed |
| WO-2004009602-A1 | PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2004-01-29 | — | — | WO | disclosed |