Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHKA | P35790 | 12/20 | 0.35 |
| ▸ | CHKB | Q9Y259 | 5/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.33 |
| ▸ | NT5E | P21589 | 2/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL25046781 | 0.86 | CHKA (0.38) | CHKACHKB | |
| SCHEMBL25049254 | 0.84 | PDE2A (0.36) | ESR2ESR1ADORA3ADORA2AADORA1 | |
| SCHEMBL25046693 | 0.82 | CHKA (0.33) | CHKANT5E | |
| SCHEMBL25048343 | 0.82 | PRMT5 (0.36) | NT5EADORA3ADORA2AADORA1 | |
| SCHEMBL25047669 | 0.81 | CHKA (0.33) | CHKACHKB | |
| SCHEMBL25048059 | 0.81 | CHKA (0.32) | CHKACHKBNT5E | |
| SCHEMBL25048731 | 0.80 | PIK3CA (0.36) | CHKACHKB | |
| SCHEMBL25048458 | 0.79 | CHKA (0.34) | CHKACHKBNT5E | |
| SCHEMBL25049274 | 0.79 | CHKA (0.35) | CHKACHKBNT5E | |
| SCHEMBL25048741 | 0.76 | OPRM1 (0.38) | — |
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-2023017152-A1 | SPECIFIC SMALL MOLECULE INHIBITORS THAT BLOCK KMT9 METHYLTRANSFERASE ACTIVITY AND FUNCTION | ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) | 2023-02-16 | — | — | WO | disclosed |