Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 6/20 | 0.39 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.37 |
| ▸ | ATF1 | P18846 | 2/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 3/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 3/20 | 0.33 |
| ▸ | CDK2 | P24941 | 3/20 | 0.33 |
| ▸ | CDK7 | P50613 | 3/20 | 0.33 |
| ▸ | CCNH | P51946 | 3/20 | 0.33 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.33 |
| ▸ | CDK9 | P50750 | 2/20 | 0.33 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.33 |
| ▸ | CDK4 | P11802 | 1/20 | 0.31 |
| ▸ | CCND1 | P24385 | 1/20 | 0.31 |
| ▸ | CCND3 | P30281 | 1/20 | 0.31 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29754868 | 0.75 | PAX8 (0.37) | PAX8ALOX15TSHRABL1USP30 | |
| SCHEMBL24676942 | 0.75 | CDK2 (0.43) | CDK1CCNB1CCNA2CDK2CDK7 | |
| SCHEMBL24676941 | 0.75 | IKBKB (0.48) | CDK1CCNB1CCNA2CDK2CDK7 | |
| SCHEMBL28509124 | 0.74 | CDK2 (0.51) | AAK1PAX8ALOX15TSHRCDK2 | |
| SCHEMBL8083910 | 0.74 | PAX8 (0.52) | AAK1PAX8SYK | |
| SCHEMBL448042 | 0.72 | SYK (0.38) | AAK1PAX8SYKSSTR4USP30 | |
| SCHEMBL24676006 | 0.72 | GPBAR1 (0.34) | PAX8ATF1NFKB1ABL1GPBAR1 | |
| SCHEMBL29755073 | 0.72 | GPBAR1 (0.34) | PAX8ATF1NFKB1ABL1GPBAR1 | |
| SCHEMBL24676013 | 0.70 | PAX8 (0.33) | AAK1PAX8ATF1NFKB1SYK | |
| SCHEMBL30926187 | 0.70 | STK17B (0.36) | PAX8ALOX15TSHRCDK1SYK |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022155941-A1 | CDK2 INHIBITORS | QILU REGOR THERAPEUTICS INC. (CN) | 2022-07-28 | — | — | WO | disclosed |
| WO-2022155941-A1 | CDK2 INHIBITORS | QILU REGOR THERAPEUTICS INC. (CN) | 2022-07-28 | — | — | WO | disclosed |