Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 12/20 | 0.48 |
| ▸ | CA1 | P00915 | 10/20 | 0.48 |
| ▸ | CA9 | Q16790 | 9/20 | 0.48 |
| ▸ | CA12 | O43570 | 7/20 | 0.48 |
| ▸ | CA4 | P22748 | 5/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.48 |
| ▸ | CA6 | P23280 | 4/20 | 0.48 |
| ▸ | CA5A | P35218 | 4/20 | 0.48 |
| ▸ | CA7 | P43166 | 4/20 | 0.48 |
| ▸ | CA5B | Q9Y2D0 | 4/20 | 0.48 |
| ▸ | CA3 | P07451 | 1/20 | 0.43 |
| ▸ | PLG | P00747 | 1/20 | 0.41 |
| ▸ | PLAU | P00749 | 1/20 | 0.41 |
| ▸ | PLAT | P00750 | 1/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28157668 | 0.79 | ALDH1A1 (0.39) | CA2CA1CA12CA14CA7 | |
| SCHEMBL31599666 | 0.79 | PTGS1 (0.39) | ROCK1LMNAHTR6 | |
| SCHEMBL1403910 | 0.79 | PTGS1 (0.39) | ROCK1LMNAHTR6 | |
| SCHEMBL14317797 | 0.75 | CA1 (0.46) | CA2CA1CA9CA12CA4 | |
| SCHEMBL23364654 | 0.75 | CA1 (0.47) | CA2CA1CA9CA12CA4 | |
| SCHEMBL2241153 | 0.75 | CA1 (0.47) | CA2CA1CA9CA12CA4 | |
| SCHEMBL29932783 | 0.75 | CA1 (0.47) | CA2CA1CA9CA12CA4 | |
| SCHEMBL17694102 | 0.75 | HRH4 (0.38) | CA9CA12HTR6KDM4E | |
| SCHEMBL30232338 | 0.75 | S1PR1 (0.53) | CA2CA1CA9CA12CA6 | |
| SCHEMBL22601565 | 0.72 | CA1 (0.48) | CA2CA1CA9CA12CA4 |
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 |