Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATXN2 | Q99700 | 2/20 | 0.40 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 9/20 | 0.35 |
| ▸ | CDK1 | P06493 | 7/20 | 0.35 |
| ▸ | CCNB1 | P14635 | 5/20 | 0.35 |
| ▸ | CCNT1 | O60563 | 4/20 | 0.35 |
| ▸ | CDK7 | P50613 | 4/20 | 0.35 |
| ▸ | CDK9 | P50750 | 4/20 | 0.35 |
| ▸ | CCNH | P51946 | 4/20 | 0.35 |
| ▸ | CDK5 | Q00535 | 4/20 | 0.35 |
| ▸ | CCNA2 | P20248 | 5/20 | 0.34 |
| ▸ | CCNA1 | P78396 | 5/20 | 0.34 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.33 |
| ▸ | CCNB3 | Q8WWL7 | 2/20 | 0.33 |
| ▸ | NEK2 | P51955 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | CDK4 | P11802 | 1/20 | 0.33 |
| ▸ | CCND1 | P24385 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1700291 | 0.86 | ATXN2 (0.37) | ATXN2FFAR2BRD4ALDH1A1 | |
| SCHEMBL28634010 | 0.86 | ATXN2 (0.39) | ATXN2FFAR2BRD4CDK2CDK1 | |
| SCHEMBL1958924 | 0.77 | ATXN2 (0.42) | ATXN2FFAR2BRD4CDK2CDK1 | |
| SCHEMBL15067934 | 0.75 | BRD4 (0.47) | FFAR2BRD4CDK2CDK1CCNB1 | |
| SCHEMBL1808876 | 0.74 | GRM4 (0.42) | ALDH1A1GRM4 | |
| SCHEMBL15067526 | 0.74 | BRD4 (0.52) | ATXN2FFAR2BRD4GRM4 | |
| SCHEMBL1699966 | 0.72 | CA1 (0.58) | ALDH1A1PIK3CDPIK3CBPIK3CG | |
| SCHEMBL1700813 | 0.72 | XDH (0.38) | ATXN2BRD4 | |
| SCHEMBL1699938 | 0.70 | BCL2 (0.39) | BRD4ALDH1A1PIK3CDPIK3CG | |
| SCHEMBL1958468 | 0.70 | FFAR2 (0.42) | ATXN2FFAR2BRD4GRM4 |
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-109897038-B | Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases | 艾伯维爱尔兰无限公司 | 2022-04-05 | — | — | CN | disclosed |
| CN-108175749-B | Melt-extruded solid dispersions containing apoptosis-inducing agents | 艾伯维爱尔兰无限公司 | 2021-09-10 | — | — | CN | disclosed |