Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL10264156 | 0.78 | HRH3 (0.31) | HRH3KDM4EALDH1A1TP53 | |
| SCHEMBL23473512 | 0.78 | KDM4E (0.33) | HRH3KDM4E | |
| SCHEMBL11570613 | 0.78 | — | — | |
| SCHEMBL8215870 | 0.78 | HRH3 (0.41) | HRH3KDM4EALDH1A1TP53 | |
| SCHEMBL24318784 | 0.74 | OPRM1 (0.34) | — | |
| SCHEMBL24555526 | 0.74 | OPRM1 (0.38) | — | |
| SCHEMBL19275191 | 0.74 | OPRM1 (0.38) | — | |
| SCHEMBL21370150 | 0.73 | TSHR (0.38) | HRH3KDM4EALDH1A1TP53 | |
| SCHEMBL3307691 | 0.73 | SLC6A4 (0.40) | HRH3KDM4EALDH1A1TP53 | |
| SCHEMBL24740634 | 0.73 | — | — |
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-2021064077-A1 | SUBSTITUTED PYRAZOLOPYRIMIDINES AS IRAK4 INHIBITORS | BAYER AKTIENGESELLSCHAFT (DE) | 2021-04-08 | — | — | WO | disclosed |