Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 7/20 | 0.49 |
| ▸ | CA2 | P00918 | 7/20 | 0.49 |
| ▸ | CA9 | Q16790 | 5/20 | 0.49 |
| ▸ | CA12 | O43570 | 4/20 | 0.49 |
| ▸ | CA4 | P22748 | 2/20 | 0.49 |
| ▸ | CA6 | P23280 | 1/20 | 0.49 |
| ▸ | CA5A | P35218 | 1/20 | 0.49 |
| ▸ | CA7 | P43166 | 1/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.49 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.47 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.47 |
| ▸ | TDO2 | P48775 | 1/20 | 0.46 |
| ▸ | BACE1 | P56817 | 2/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL14161390 | 0.79 | CA1 (0.55) | CA1CA2CA9CA12CA4 | |
| SCHEMBL1795003 | 0.76 | CA2 (0.64) | CA1CA2CA9CA12CA4 | |
| Hydrochloric Acid SCHEMBL19272459 | 0.74 | CA2 (0.64) | CA1CA2CA9CA12CA4 | |
| SCHEMBL24669188 | 0.74 | CA2 (0.49) | CA1CA2CA9CA12CA4 | |
| SCHEMBL4802122 | 0.73 | CA2 (0.55) | CA1CA2CA9CA12CA4 | |
| SCHEMBL24669579 | 0.72 | CA2 (0.43) | CA1CA2CA9CA12CA4 | |
| SCHEMBL7396230 | 0.72 | TAAR1 (0.51) | CA1CA2PTGES2BACE1MAOB | |
| SCHEMBL24668679 | 0.71 | CA1 (0.49) | CA1CA2CA9CA12CA4 | |
| SCHEMBL17680272 | 0.71 | DRD1 (0.44) | CA1CA2CA9CA12CA4 | |
| Benzene SCHEMBL28202934 | 0.71 | CSNK2A1 (0.51) | CA1CA2CA9CA12CA4 |
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 |