Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 8/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 7/20 | 0.33 |
| ▸ | DRD4 | P21917 | 7/20 | 0.33 |
| ▸ | DRD3 | P35462 | 7/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 6/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 6/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 6/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 6/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | MGLL | Q99685 | 1/20 | 0.33 |
| ▸ | WEE1 | P30291 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.30 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.30 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.30 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21671707 | 0.79 | WEE1 (0.48) | DRD2WEE1 | |
| SCHEMBL910245 | 0.76 | BRD4 (0.34) | DRD2 | |
| SCHEMBL3042779 | 0.73 | FAAH (0.47) | DRD2CHRM1DRD4DRD3CHRM2 | |
| SCHEMBL21641741 | 0.70 | WEE1 (0.43) | WEE1 | |
| SCHEMBL21672067 | 0.68 | REN (0.34) | WEE1 | |
| SCHEMBL8432105 | 0.67 | MGLL (0.53) | FAAHMGLL | |
| SCHEMBL21671972 | 0.64 | WEE1 (0.30) | WEE1 | |
| SCHEMBL19277204 | 0.63 | FAAH (0.42) | CHRM1CHRM2CHRM4CHRM5CHRM3 | |
| SCHEMBL8431076 | 0.63 | MEN1 (0.49) | FAAHMGLL | |
| SCHEMBL8077611 | 0.62 | MEN1 (0.47) | FAAHMGLL |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3604306-A1 | MACROCYCLIC DERIVATIVE OF PYRAZOL[3,4-D]PYRIMIDIN-3-ONE, PHARMACEUTICAL COMPOSITION AND USE THEREOF | Shanghai de Novo Pharmatech Co., Ltd. (CN) | 2020-02-05 | — | — | EP | disclosed |