Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 5/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 5/20 | 0.42 |
| ▸ | DRD2 | P14416 | 3/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL24414562 | 1.00 | MTNR1A (0.42) | MTNR1AMTNR1BDRD2MCL1CA1 | |
| SCHEMBL29208507 | 0.84 | NAMPT (0.37) | DRD2CA1CA2HDAC8 | |
| SCHEMBL29208505 | 0.84 | EP300 (0.42) | CA1CA2HDAC6HDAC1HDAC8 | |
| SCHEMBL29208400 | 0.83 | HDAC8 (0.47) | CA1CA2HDAC6HDAC1HDAC8 | |
| SCHEMBL24414605 | 0.82 | KDM4E (0.47) | MTNR1AMTNR1BMCL1HDAC6HDAC1 | |
| SCHEMBL29208492 | 0.79 | BRD9 (0.44) | HDAC6HDAC1HDAC8 | |
| SCHEMBL29588065 | 0.79 | BRD9 (0.44) | HDAC6HDAC1HDAC8 | |
| SCHEMBL17997425 | 0.78 | MTNR1A (0.60) | MTNR1AMTNR1BHDAC6HDAC1HDAC8 | |
| SCHEMBL7672969 | 0.77 | MTNR1A (0.51) | MTNR1AMTNR1B | |
| SCHEMBL7671707 | 0.77 | KMO (0.54) | MTNR1AMTNR1BDRD2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113474340-B | Novel isoindolinone substituted indoles and derivatives as RAS inhibitors | 勃林格殷格翰国际有限公司 | 2024-07-23 | — | — | CN | disclosed |