Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | RPS6KB1 | P23443 | 7/20 | 0.36 |
| ▸ | IRAK4 | Q9NWZ3 | 9/20 | 0.34 |
| ▸ | AURKA | O14965 | 2/20 | 0.33 |
| ▸ | AKT1 | P31749 | 2/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30749440 | 1.00 | CYP19A1 (0.37) | CYP19A1RPS6KB1IRAK4AURKAAKT1 | |
| SCHEMBL10360090 | 0.83 | SLC6A2 (0.47) | RPS6KB1 | |
| SCHEMBL27746280 | 0.72 | SLC6A2 (0.48) | — | |
| SCHEMBL3701313 | 0.71 | AKT1 (0.43) | AKT1 | |
| SCHEMBL27655008 | 0.71 | SLC6A4 (0.35) | CYP19A1IRAK4AKT1 | |
| SCHEMBL1975106 | 0.70 | SLC6A2 (0.48) | — | |
| SCHEMBL14968784 | 0.68 | P2RX7 (0.43) | CYP19A1 | |
| SCHEMBL26135597 | 0.67 | SLC6A2 (0.38) | RPS6KB1AURKA | |
| SCHEMBL2176754 | 0.67 | P2RX7 (0.42) | CYP19A1AKT1 | |
| SCHEMBL2176759 | 0.67 | P2RX7 (0.42) | CYP19A1AKT1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012022045-A1 | PYRROLOPYRIMIDINE COMPOUNDS AND USES THEREOF | HUTCHISON MEDIPHARMA LIMITED (CN) | 2012-02-23 | — | — | WO | disclosed |