Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 6/20 | 0.44 |
| ▸ | CCND1 | P24385 | 5/20 | 0.44 |
| ▸ | CDK6 | Q00534 | 4/20 | 0.44 |
| ▸ | CCND3 | P30281 | 2/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | CDK1 | P06493 | 4/20 | 0.39 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.39 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.36 |
| ▸ | VDR | P11473 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | CDK9 | P50750 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29827385 | 0.85 | CDK4 (0.43) | CDK4CCND1CDK6CCND3HDAC1 | |
| SCHEMBL29855983 | 0.82 | CDK4 (0.46) | CDK4CCND1CDK6CCND3HDAC1 | |
| SCHEMBL30309541 | 0.79 | CDK4 (0.51) | CDK4CCND1CDK6CCND3HDAC1 | |
| SCHEMBL22172304 | 0.79 | CDK4 (0.51) | CDK4CCND1CDK6CCND3HDAC1 | |
| SCHEMBL30039843 | 0.70 | CDK4 (0.59) | CDK4CCND1CDK6CCND3HDAC1 | |
| SCHEMBL19836463 | 0.70 | CDK4 (0.59) | CDK4CCND1CDK6CCND3HDAC1 | |
| SCHEMBL29855820 | 0.68 | SYK (0.39) | KMT2AALDH1A1 | |
| SCHEMBL28836373 | 0.68 | SYK (0.39) | KMT2AALDH1A1 | |
| SCHEMBL3865834 | 0.67 | NFKB1 (0.43) | MEN1NPC1RAB9AKMT2AADORA1 | |
| SCHEMBL29827391 | 0.67 | NFKB1 (0.43) | MEN1NPC1RAB9AKMT2AADORA1 |
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-2022166916-A1 | SUBSTITUTED HETEROARYL DERIVATIVE, AND COMPOSITION AND USE THEREOF | 深圳市塔吉瑞生物医药有限公司 | 2022-08-11 | — | — | WO | disclosed |