Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 5/20 | 0.65 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | USP2 | O75604 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.56 |
| ▸ | ABL1 | P00519 | 2/20 | 0.54 |
| ▸ | EGFR | P00533 | 2/20 | 0.54 |
| ▸ | PRKCA | P17252 | 1/20 | 0.54 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.54 |
| ▸ | CDK1 | P06493 | 1/20 | 0.54 |
| ▸ | CDK4 | P11802 | 1/20 | 0.54 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.54 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.54 |
| ▸ | CCND1 | P24385 | 1/20 | 0.54 |
| ▸ | CDK2 | P24941 | 1/20 | 0.54 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL30565323 | 0.85 | PRKCZ (0.52) | IKBKBABL1EGFRPRKCAPRKCD | |
| SCHEMBL29539927 | 0.82 | IKBKB (0.67) | IKBKBMAPK8ABL1EGFRPRKCA | |
| SCHEMBL13015042 | 0.81 | CYP1A2 (0.61) | IKBKBMAPK8CYP1A2USP2ALDH1A1 | |
| SCHEMBL27739765 | 0.81 | ABL1 (0.53) | IKBKBMAPK8ABL1EGFRPRKCA | |
| SCHEMBL27739764 | 0.81 | HDAC8 (0.54) | IKBKBMAPK8ABL1EGFRPRKCA | |
| Hydrochloric Acid SCHEMBL3777273 | 0.80 | CYP1A2 (0.60) | IKBKBMAPK8CYP1A2USP2ALDH1A1 | |
| SCHEMBL29540237 | 0.80 | ABL1 (0.52) | IKBKBIRAK4ABL1EGFRPRKCA | |
| SCHEMBL29541062 | 0.79 | CYP1A2 (0.53) | IKBKBMAPK8CYP1A2USP2ALDH1A1 | |
| SCHEMBL29540438 | 0.79 | IKBKB (0.71) | IKBKBMAPK8ABL1EGFRPRKCA | |
| SCHEMBL3644540 | 0.79 | IKBKB (0.67) | IKBKBMAPK8IRAK4CDK1CDK4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108276382-B | Cyclin-dependent kinase inhibitor and application thereof | 南京圣和药物研发有限公司 | 2022-10-18 | — | — | CN | disclosed |
| CN-110418789-B | Derivatives of N-cycloalkyl/heterocycloalkyl-4- (imidazo [1,2-a ] pyridine) pyrimidin-2-amines as therapeutic agents | 常州千红生化制药股份有限公司 | 2022-03-25 | — | — | CN | disclosed |