Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.32 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.32 |
| ▸ | NFATC1 | O95644 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | GPBAR1 | Q8TDU6 | 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 | |
|---|---|---|---|---|
| SCHEMBL25094288 | 0.84 | HTR2A (0.33) | USP2HTTNCOA1NCOA3NFATC1 | |
| SCHEMBL7975285 | 0.83 | PDE9A (0.32) | — | |
| SCHEMBL7977462 | 0.76 | GAA (0.35) | GSK3BCYP3A4 | |
| SCHEMBL10094143 | 0.76 | BRPF1 (0.42) | CYP3A4CYP2D6TSHR | |
| SCHEMBL17953966 | 0.71 | HTR2A (0.40) | CYP3A4CYP2D6TSHR | |
| SCHEMBL7033880 | 0.70 | MAPT (0.33) | GSK3B | |
| SCHEMBL21234852 | 0.70 | CYP1A2 (0.33) | CYP3A4CYP2D6TSHR | |
| SCHEMBL22736596 | 0.69 | SIGMAR1 (0.44) | HTTCYP3A4CYP2D6TSHR | |
| SCHEMBL8556566 | 0.68 | GRIA2 (0.35) | CYP3A4CYP2D6TSHR | |
| SCHEMBL24597109 | 0.68 | SLC22A12 (0.44) | — |
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-2022187693-A1 | COVALENT CDK2-BINDING COMPOUNDS FOR THERAPEUTIC PURPOSES | UMBRA THERAPEUTICS INC. (US) | 2022-09-09 | — | — | WO | disclosed |