Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 9/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 9/20 | 0.38 |
| ▸ | SLC16A3 | O15427 | 3/20 | 0.36 |
| ▸ | PLA2G2A | P14555 | 2/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | SLC16A1 | P53985 | 2/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.34 |
| ▸ | CNR2 | P34972 | 2/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL20606168 | 0.88 | HDAC1 (0.38) | HDAC1HDAC6BRD4 | |
| SCHEMBL28756665 | 0.80 | CYP11B1 (0.39) | — | |
| SCHEMBL20604902 | 0.79 | GRIN2B (0.42) | HDAC1HDAC6BRD4 | |
| SCHEMBL28756706 | 0.78 | AR (0.36) | — | |
| SCHEMBL26581653 | 0.68 | MCL1 (0.48) | — | |
| SCHEMBL23799579 | 0.67 | MCL1 (0.45) | HDAC1HDAC6 | |
| SCHEMBL20605093 | 0.67 | MCL1 (0.42) | HDAC1HDAC6 | |
| SCHEMBL23809057 | 0.66 | MCL1 (0.44) | HDAC1HDAC6CNR2 | |
| SCHEMBL30587594 | 0.66 | ADRA1D (0.44) | HDAC1HDAC6KDM4EALDH1A1 | |
| SCHEMBL19659053 | 0.64 | ALDH1A1 (0.43) | HDAC1KDM4EALDH1A1TSHR |
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-109153643-B | Substituted indole MCL-1 inhibitors | 范德比尔特大学 | 2022-06-21 | — | — | CN | disclosed |