Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 12/20 | 0.42 |
| ▸ | CA2 | P00918 | 12/20 | 0.42 |
| ▸ | CA9 | Q16790 | 11/20 | 0.42 |
| ▸ | CA12 | O43570 | 5/20 | 0.42 |
| ▸ | SOS1 | Q07889 | 2/20 | 0.41 |
| ▸ | CA3 | P07451 | 2/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL602631 | 0.80 | SOS1 (0.55) | CA1CA2CA9CA12SOS1 | |
| SCHEMBL2264873 | 0.80 | PTGS2 (0.38) | PTGS2PTGS1 | |
| SCHEMBL23792366 | 0.76 | CA2 (0.43) | CA1CA2CA9CA12CA3 | |
| SCHEMBL96269 | 0.75 | ERN1 (0.41) | CA1CA9CA12PTGS2PTGS1 | |
| SCHEMBL6854243 | 0.75 | ERN1 (0.41) | PTGS2PTGS1 | |
| Ammonia Solution, Strong SCHEMBL13735346 | 0.73 | ERN1 (0.39) | CA1CA9CA12PTGS2PTGS1 | |
| SCHEMBL23413661 | 0.72 | PTGS2 (0.51) | CA1CA2CA9CA12PTGS2 | |
| SCHEMBL4809120 | 0.71 | CA1 (0.50) | CA1CA2CA9CA12SOS1 | |
| SCHEMBL16235568 | 0.71 | CA1 (0.50) | CA1CA2CA9CA12SOS1 | |
| SCHEMBL17331447 | 0.71 | CA2 (0.52) | CA1CA2CA9CA12SOS1 |
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 |