Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.40 |
| ▸ | KDR | P35968 | 3/20 | 0.39 |
| ▸ | CXCR4 | P61073 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | GRK6 | P43250 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27891724 | 0.94 | MCL1 (0.44) | MCL1SLC6A4SLC6A2HRH1ABCB1 | |
| SCHEMBL27891792 | 0.90 | MCL1 (0.46) | MCL1SLC6A4SLC6A2HRH1CXCR4 | |
| SCHEMBL27908735 | 0.84 | SLC6A4 (0.39) | SLC6A4SLC6A2HRH1ABCB1CXCR4 | |
| SCHEMBL27891759 | 0.82 | MCL1 (0.48) | MCL1CXCR4KMT2A | |
| SCHEMBL27891775 | 0.81 | MCL1 (0.46) | MCL1SLC6A4SLC6A2HRH1ABCB1 | |
| SCHEMBL27908714 | 0.80 | SLC6A4 (0.44) | SLC6A4SLC6A2HRH1ABCB1KMT2A | |
| SCHEMBL28386723 | 0.78 | CXCR4 (0.53) | MCL1CXCR4KCNH2 | |
| SCHEMBL27891753 | 0.78 | MCL1 (0.47) | MCL1SLC6A4SLC6A2HRH1ABCB1 | |
| SCHEMBL28381267 | 0.77 | CXCR4 (0.52) | MCL1CXCR4KCNH2 | |
| SCHEMBL28386942 | 0.77 | CXCR4 (0.52) | MCL1CXCR4KCNH2 |
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 |