Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 2/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.43 |
| ▸ | HRH1 | P35367 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 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 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL27908738 | 0.95 | ABCB1 (0.42) | ABCB1SLC6A4SLC6A2HRH1KMT2A | |
| SCHEMBL27891739 | 0.89 | ABCB1 (0.41) | ABCB1SLC6A4SLC6A2HRH1KMT2A | |
| SCHEMBL27891786 | 0.84 | ABCB1 (0.42) | ABCB1SLC6A4SLC6A2HRH1SMN1; SMN2 | |
| SCHEMBL27891749 | 0.83 | KMT2A (0.42) | KMT2ASMN1; SMN2POLBNPC1GAA | |
| SCHEMBL27908744 | 0.82 | SLC6A4 (0.47) | ABCB1SLC6A4SLC6A2HRH1KMT2A | |
| SCHEMBL27908716 | 0.79 | ABCB1 (0.41) | ABCB1SLC6A4SLC6A2HRH1KMT2A | |
| SCHEMBL27891775 | 0.78 | MCL1 (0.46) | ABCB1SLC6A4SLC6A2HRH1KMT2A | |
| SCHEMBL27908715 | 0.78 | SIGMAR1 (0.49) | KMT2ASMN1; SMN2SIGMAR1KDR | |
| SCHEMBL27908727 | 0.77 | SLC6A4 (0.43) | ABCB1SLC6A4SLC6A2HRH1KMT2A | |
| SCHEMBL27891745 | 0.77 | RCE1 (0.42) | ABCB1SLC6A4SLC6A2HRH1KMT2A |
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 |