Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | CNR1 | P21554 | 1/20 | 0.47 |
| ▸ | CNR2 | P34972 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.37 |
| ▸ | WEE1 | P30291 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 3/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL1775887 | 0.81 | CNR2 (0.47) | CNR1CNR2MAOBMALT1CA1 | |
| SCHEMBL14431713 | 0.76 | CNR1 (0.48) | KDM4EALDH1A1CNR1CNR2MAPT | |
| SCHEMBL30608424 | 0.71 | ALDH1A1 (0.57) | KDM4EALDH1A1HTR2CMAPTMAOA | |
| SCHEMBL1314145 | 0.71 | ALDH1A1 (0.57) | KDM4EALDH1A1HTR2CMAPTMAOA | |
| SCHEMBL1951671 | 0.71 | ESR1 (0.40) | KDM4EALDH1A1MAOAMAOBWEE1 | |
| SCHEMBL1983108 | 0.69 | ALDH1A1 (1.00) | KDM4EALDH1A1HTR2CMAPTMAOA | |
| SCHEMBL30132496 | 0.69 | ALDH1A1 (1.00) | KDM4EALDH1A1HTR2CMAPTMAOA | |
| SCHEMBL10713440 | 0.69 | ALDH1A1 (0.54) | KDM4EALDH1A1HTR2CMAPTMAOA | |
| SCHEMBL17049752 | 0.67 | KDM4E (0.51) | KDM4EALDH1A1HTR2CMAPTMAOA | |
| SCHEMBL30629205 | 0.66 | KDM4E (0.50) | KDM4EALDH1A1CNR1CNR2MAPT |
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-112876419-A | Allylamine derivatives, process for producing the same and use thereof | 四川科伦博泰生物医药股份有限公司 | 2021-06-01 | — | — | CN | disclosed |