Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 4/20 | 0.63 |
| ▸ | KDR | P35968 | 4/20 | 0.63 |
| ▸ | CDK2 | P24941 | 5/20 | 0.59 |
| ▸ | CDK9 | P50750 | 4/20 | 0.59 |
| ▸ | CCNT1 | O60563 | 3/20 | 0.59 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.59 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.59 |
| ▸ | AURKA | O14965 | 1/20 | 0.53 |
| ▸ | IKBKB | O14920 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | CDK7 | P50613 | 3/20 | 0.51 |
| ▸ | CCNH | P51946 | 2/20 | 0.51 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.51 |
| ▸ | CA2 | P00918 | 9/20 | 0.49 |
| ▸ | CA1 | P00915 | 6/20 | 0.49 |
| ▸ | CA9 | Q16790 | 6/20 | 0.49 |
| ▸ | CA12 | O43570 | 4/20 | 0.49 |
| ▸ | CA4 | P22748 | 3/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL6221829 | 0.86 | NPC1 (0.67) | CDK1KDRCDK2CDK9CCNT1 | |
| SCHEMBL29631744 | 0.85 | CDK1 (0.60) | CDK1KDRCDK2CDK9CCNT1 | |
| SCHEMBL24477790 | 0.85 | CDK1 (0.60) | CDK1KDRCDK2CDK9CCNT1 | |
| SCHEMBL24477853 | 0.84 | KDR (0.76) | CDK1KDRCDK2CDK9CCNT1 | |
| SCHEMBL24478147 | 0.81 | KDR (0.74) | CDK1KDRCDK2CDK9CCNT1 | |
| SCHEMBL24477952 | 0.81 | CDK2 (0.59) | CDK1KDRCDK2CDK9CCNT1 | |
| SCHEMBL10492993 | 0.81 | CA2 (0.57) | CDK1KDRCDK2CDK9CCNT1 | |
| SCHEMBL24478139 | 0.81 | KDR (0.64) | CDK1KDRCDK2CDK9CCNT1 | |
| SCHEMBL24477620 | 0.80 | CA2 (0.55) | CDK1KDRCDK2CDK9CCNT1 | |
| SCHEMBL24477875 | 0.80 | KDR (0.53) | CDK1KDRCDK2CDK9CCNT1 |
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-2022111621-A1 | AMINOHETEROARYL KINASE INHIBITORS | ANRUI BIOMEDICAL TECHNOLOGY (GUANGZHOU) CO., LTD. (CN) | 2022-06-02 | — | — | WO | disclosed |