Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SDHB | P21912 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | GRM5 | P41594 | 1/20 | 0.38 |
| ▸ | BRS3 | P32247 | 2/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.37 |
| ▸ | VDR | P11473 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28368505 | 0.80 | TLR8 (0.47) | TLR8CA12CA1CA2CA9 | |
| SCHEMBL28553597 | 0.80 | PTGS2 (0.36) | TLR8MAPTGRM5ALDH1A1 | |
| SCHEMBL25934717 | 0.80 | MMP2 (0.35) | MAPTKDM4EALDH1A1 | |
| SCHEMBL28373925 | 0.74 | MAPT (0.46) | MAPTKDM4E | |
| SCHEMBL25591913 | 0.73 | ALDH1A1 (0.50) | CA1CA2CA9KDM4EALDH1A1 | |
| SCHEMBL22275396 | 0.71 | MAPT (0.43) | SLC6A3SLC6A2MAPTALDH1A1 | |
| SCHEMBL23546779 | 0.71 | MPO (0.42) | MAPTKDM4E | |
| SCHEMBL11717991 | 0.68 | SLC6A3 (0.52) | SLC6A3SLC6A4SLC6A2KDM4EALDH1A1 | |
| SCHEMBL21958099 | 0.68 | TDP1 (0.44) | MAPTKDM4EALDH1A1 | |
| SCHEMBL30809547 | 0.68 | DUT (0.31) | — |
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-110845520-B | Macrocyclic indoles as MCL-1 inhibitors | 苏州亚盛药业有限公司 | 2021-04-13 | — | — | CN | disclosed |
| CN-110845520-A | Macrocyclic indoles as MCL-1 inhibitors | 苏州亚盛药业有限公司 | 2020-02-28 | — | — | CN | disclosed |