Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC2 | Q92769 | 7/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.39 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.35 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MC4R | P32245 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | MC3R | P41968 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.31 |
| ▸ | MYT1 | Q01538 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.30 |
| ▸ | CDK2 | P24941 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27923200 | 0.79 | DPP8 (0.57) | DPP8DPP9 | |
| SCHEMBL28625656 | 0.72 | NAMPT (0.37) | PARP1CCNA2CDK2CCNA1 | |
| SCHEMBL22224502 | 0.72 | DPP8 (0.44) | HDAC2HDAC1DPP8DPP9TSHR | |
| SCHEMBL28411097 | 0.72 | DPP8 (0.39) | DPP8DPP9TSHRPARP1ALDH1A1 | |
| SCHEMBL4753809 | 0.68 | DPP8 (0.47) | DPP8DPP9TSHRALDH1A1HTT | |
| SCHEMBL31348202 | 0.67 | HDAC1 (0.44) | HDAC2HDAC1DPP8DPP9ALDH1A1 | |
| SCHEMBL30456600 | 0.67 | — | — | |
| SCHEMBL6120302 | 0.66 | HDAC2 (0.49) | HDAC2HDAC1 | |
| SCHEMBL29690628 | 0.66 | HDAC2 (0.49) | HDAC2HDAC1 | |
| SCHEMBL14738035 | 0.65 | — | — |
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-114450271-B | Ureas, amino and substituted heteroaryl compounds for Cbl-b inhibition | 纽力克斯治疗公司 | 2024-09-20 | — | — | CN | disclosed |
| CN-114450271-A | Ureas, amino and substituted heteroaryl compounds for Cbl-b inhibition | 纽力克斯治疗公司 | 2022-05-06 | — | — | CN | disclosed |