Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 3/20 | 0.46 |
| ▸ | CXCR4 | P61073 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27891759 | 0.93 | MCL1 (0.48) | MCL1CXCR4MEN1KMT2AUTS2R | |
| SCHEMBL27891770 | 0.90 | MCL1 (0.43) | MCL1CXCR4KMT2ASLC6A4SLC6A2 | |
| SCHEMBL27908735 | 0.86 | SLC6A4 (0.39) | CXCR4SLC6A4SLC6A2CACNA2D1HRH1 | |
| SCHEMBL27891724 | 0.83 | MCL1 (0.44) | MCL1CXCR4MEN1KMT2ASLC6A4 | |
| SCHEMBL27908731 | 0.80 | MCL1 (0.49) | MCL1CXCR4MEN1KMT2AUTS2R | |
| SCHEMBL27908719 | 0.79 | MEN1 (0.42) | MEN1KMT2AKDM4ESLC6A4SLC6A2 | |
| SCHEMBL27891726 | 0.79 | TSHR (0.39) | CXCR4MEN1KMT2AKDM4ESLC6A4 | |
| SCHEMBL27891748 | 0.78 | MEN1 (0.44) | MEN1KMT2AUTS2RKDM4ESLC6A4 | |
| SCHEMBL28381519 | 0.76 | CXCR4 (0.61) | MCL1CXCR4 | |
| SCHEMBL28382681 | 0.75 | CXCR4 (0.58) | MCL1CXCR4KDM4ECYP19A1 |
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-102146080-B | Beta-carboline alkali derivative compounds and application thereof | XINJIANG HUASHIDAN PHARMACEUTICAL CO LTD | 2013-01-30 | — | — | CN | claimed |