Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 3/20 | 0.47 |
| ▸ | KDR | P35968 | 4/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | GRK6 | P43250 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 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 | |
|---|---|---|---|---|
| SCHEMBL27891775 | 0.95 | MCL1 (0.46) | MCL1KDRSLC6A4SLC6A2HRH1 | |
| SCHEMBL27891734 | 0.87 | MCL1 (0.51) | MCL1KMT2APOLBLMNAMAPT | |
| SCHEMBL27908731 | 0.83 | MCL1 (0.49) | MCL1SLC6A4SLC6A2HRH1KMT2A | |
| SCHEMBL27908736 | 0.82 | TSHR (0.41) | MCL1SLC6A4SLC6A2HRH1POLB | |
| SCHEMBL27891724 | 0.79 | MCL1 (0.44) | MCL1KDRSLC6A4SLC6A2HRH1 | |
| SCHEMBL27891751 | 0.79 | SLC6A4 (0.42) | SLC6A4SLC6A2HRH1POLBLMNA | |
| SCHEMBL27908738 | 0.78 | ABCB1 (0.42) | KDRSLC6A4SLC6A2HRH1KMT2A | |
| SCHEMBL27908727 | 0.78 | SLC6A4 (0.43) | SLC6A4SLC6A2HRH1KMT2APOLB | |
| SCHEMBL27891784 | 0.77 | MCL1 (0.57) | MCL1KDRSIGMAR1 | |
| SCHEMBL27921185 | 0.74 | MCL1 (0.57) | MCL1KDRLMNASIGMAR1ALDH1A1 |
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 | disclosed |