Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 13/20 | 0.43 |
| ▸ | CA1 | P00915 | 8/20 | 0.43 |
| ▸ | CA9 | Q16790 | 4/20 | 0.43 |
| ▸ | CA12 | O43570 | 3/20 | 0.43 |
| ▸ | CA4 | P22748 | 3/20 | 0.43 |
| ▸ | CA6 | P23280 | 3/20 | 0.43 |
| ▸ | CA5A | P35218 | 3/20 | 0.43 |
| ▸ | CA7 | P43166 | 3/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.43 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.39 |
| ▸ | KIT | P10721 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL24669595 | 0.76 | CA1 (0.47) | CA2CA1CA9CA12CA7 | |
| SCHEMBL9978250 | 0.72 | APLNR (0.55) | CA2CA1CA9CA12CA4 | |
| SCHEMBL24668682 | 0.72 | CA1 (0.49) | CA2CA1CA9CA12CA4 | |
| SCHEMBL4802122 | 0.71 | CA2 (0.55) | CA2CA1CA9CA12CA4 | |
| SCHEMBL4585303 | 0.68 | CA2 (0.63) | CA2CA1CA9CA12CA4 | |
| SCHEMBL7393289 | 0.66 | DRD2 (0.52) | — | |
| SCHEMBL2309130 | 0.66 | CA2 (0.56) | CA2CA1CA9CA12CA4 | |
| SCHEMBL23953162 | 0.66 | CA2 (0.59) | CA2CA1CA9CA12CA4 | |
| SCHEMBL4263174 | 0.65 | PTGS2 (0.72) | CA2CA9CA12PTGS2PTGS1 | |
| SCHEMBL9413208 | 0.65 | CSNK2A1 (0.46) | — |
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 |