Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 6/20 | 0.45 |
| ▸ | CA1 | P00915 | 6/20 | 0.45 |
| ▸ | CA2 | P00918 | 6/20 | 0.45 |
| ▸ | CA9 | Q16790 | 6/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | NQO2 | P16083 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | SUCNR1 | Q9BXA5 | 3/20 | 0.41 |
| ▸ | BRD4 | O60885 | 2/20 | 0.40 |
| ▸ | DRD2 | P14416 | 2/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | STK17B | O94768 | 1/20 | 0.39 |
| ▸ | STK17A | Q9UEE5 | 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 | |
|---|---|---|---|---|
| SCHEMBL24742555 | 0.92 | NQO2 (0.44) | CA12CA1CA2CA9NQO2 | |
| SCHEMBL24741858 | 0.86 | CA1 (0.43) | CA12CA1CA2CA9TDP1 | |
| SCHEMBL24741781 | 0.82 | CA12 (0.50) | CA12CA1CA2CA9TDP1 | |
| SCHEMBL24741977 | 0.81 | MAOA (0.43) | CA12CA1CA2CA9TDP1 | |
| SCHEMBL24743091 | 0.81 | LATS1 (0.39) | CA1CA2NQO2BCHE | |
| SCHEMBL24742258 | 0.81 | PTPN11 (0.40) | NQO2BCHE | |
| SCHEMBL24742372 | 0.80 | CA12 (0.43) | CA12CA1CA2CA9TDP1 | |
| SCHEMBL24742199 | 0.79 | CA1 (0.47) | CA12CA1CA2CA9TDP1 | |
| SCHEMBL26697003 | 0.79 | NPSR1 (0.47) | CA12CA1CA2CA9NQO2 | |
| SCHEMBL24742308 | 0.79 | BCHE (0.45) | CA1CA2TDP1NQO2CYP3A4 |
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 |