Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | NPY1R | P25929 | 1/20 | 0.39 |
| ▸ | NPY2R | P49146 | 1/20 | 0.39 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 4/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | GRK6 | P43250 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | NQO2 | P16083 | 1/20 | 0.36 |
| ▸ | RAD52 | P43351 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.35 |
| ▸ | CXCR4 | P61073 | 3/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27908735 | 0.93 | SLC6A4 (0.39) | TSHRNPY1RNPY2RRCE1POLB | |
| SCHEMBL27891759 | 0.85 | MCL1 (0.48) | RCE1MEN1KMT2ACXCR4ATM | |
| SCHEMBL27891724 | 0.82 | MCL1 (0.44) | RCE1POLBLMNAMAPTGRK6 | |
| SCHEMBL27891792 | 0.79 | MCL1 (0.46) | POLBMEN1KMT2ACXCR4KDM4E | |
| SCHEMBL27908736 | 0.78 | TSHR (0.41) | TSHRNPY1RNPY2RRCE1POLB | |
| SCHEMBL27891770 | 0.77 | MCL1 (0.43) | POLBLMNAMAPTGRK6KMT2A | |
| SCHEMBL27891751 | 0.76 | SLC6A4 (0.42) | TSHRNPY1RNPY2RRCE1POLB | |
| SCHEMBL28381247 | 0.74 | CXCR4 (0.56) | CXCR4 | |
| SCHEMBL27992160 | 0.73 | ALDH1A1 (0.43) | TSHRNPY1RNPY2RLMNAMAPT | |
| SCHEMBL28887362 | 0.73 | CXCR4 (0.56) | CXCR4 |
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 |