Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | KIT | P10721 | 1/20 | 0.40 |
| ▸ | TDO2 | P48775 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.39 |
| ▸ | TTK | P33981 | 1/20 | 0.37 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.37 |
| ▸ | CKS1B | P61024 | 1/20 | 0.36 |
| ▸ | SKP1 | P63208 | 1/20 | 0.36 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29773843 | 0.85 | GBA1 (0.44) | GBA1CHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL27905859 | 0.79 | CHRM2 (0.46) | CHRM2CHRM4CHRM1CHRM3HTT | |
| SCHEMBL27905863 | 0.78 | CHRM2 (0.49) | GBA1CHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL27923777 | 0.78 | CHRM2 (0.47) | CHRM2CHRM4CHRM1CHRM3CXCR4 | |
| SCHEMBL18478247 | 0.77 | KIT (0.41) | GBA1KITHTTGPR119TTK | |
| SCHEMBL18437189 | 0.77 | KIT (0.41) | GBA1KITHTTGPR119TTK | |
| SCHEMBL29057628 | 0.77 | MAP2K4 (0.50) | GBA1KITHTTGPR119CYP11B2 | |
| SCHEMBL29773883 | 0.75 | CHRM2 (0.49) | GBA1CHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL20340626 | 0.75 | TDO2 (0.51) | TDO2CYP11B2TBXAS1CYP2A6 | |
| SCHEMBL30022454 | 0.73 | CHRM2 (0.59) | CHRM2CHRM4CHRM1CHRM3HTT |
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-103145705-A | Beta-carboline alkaloid derivatives and their preparation method and medical use | UNIV NANTONG | 2013-06-12 | — | — | CN | disclosed |