Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 7/20 | 0.46 |
| ▸ | CA2 | P00918 | 7/20 | 0.46 |
| ▸ | CA12 | O43570 | 5/20 | 0.46 |
| ▸ | CA9 | Q16790 | 5/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | SUCNR1 | Q9BXA5 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 3/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | NQO2 | P16083 | 1/20 | 0.40 |
| ▸ | STK17B | O94768 | 1/20 | 0.40 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL24741781 | 0.79 | CA12 (0.50) | CA1CA2CA12CA9KDM4E | |
| SCHEMBL24741858 | 0.78 | CA1 (0.43) | CA1CA2CA12CA9KDM4E | |
| SCHEMBL30012375 | 0.78 | CA12 (0.48) | CA1CA2CA12CA9KDM4E | |
| SCHEMBL16069038 | 0.78 | CA12 (0.48) | CA1CA2CA12CA9KDM4E | |
| SCHEMBL24741910 | 0.77 | ALDH1A1 (0.50) | TDP1SUCNR1BCHENQO2STK17B | |
| SCHEMBL24743050 | 0.76 | CA12 (0.45) | CA1CA2CA12CA9TDP1 | |
| SCHEMBL24741977 | 0.75 | MAOA (0.43) | CA1CA2CA12CA9KDM4E | |
| SCHEMBL25937836 | 0.74 | CYP3A4 (0.49) | CA1CA2CA12CA9KDM4E | |
| SCHEMBL20289343 | 0.74 | ALDH1A1 (0.52) | TDP1SUCNR1BCHENQO2 | |
| SCHEMBL24742555 | 0.74 | NQO2 (0.44) | CA1CA2CA12CA9KDM4E |
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-2022206888-A1 | CDK2 INHIBITORS AND USE THEREOF | QILU REGOR THERAPEUTICS INC. (CN) | 2022-10-06 | — | — | WO | disclosed |