Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | DRD1 | P21728 | 2/20 | 0.43 |
| ▸ | DRD3 | P35462 | 2/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HRAS | P01112 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 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 | |
|---|---|---|---|---|
| SCHEMBL2178103 | 0.90 | CYP3A4 (0.48) | KDM4ECYP3A4MAPTHRASHTT | |
| Water SCHEMBL27527749 | 0.88 | CYP3A4 (0.52) | KDM4ECYP3A4MAPTHRASHTT | |
| Hydrochloric Acid SCHEMBL27547964 | 0.88 | MAPT (0.52) | KDM4ECYP3A4MAPTHRASHTT | |
| Dimethylamine SCHEMBL28814481 | 0.86 | CYP3A4 (0.50) | KDM4ECYP3A4MAPTHRASHTT | |
| Chloromethane SCHEMBL27446335 | 0.86 | CYP3A4 (0.45) | KDM4ECYP3A4MAPTHRASHTT | |
| Benzaldehyde SCHEMBL7800457 | 0.81 | ALDH1A1 (0.47) | KDM4ECYP3A4MAPTHRASSMN1; SMN2 | |
| Sulfuric Acid SCHEMBL27885483 | 0.80 | CA2 (0.46) | KDM4ECYP3A4MAPTTSHRHRAS | |
| Sulfuric Acid SCHEMBL27885484 | 0.80 | CA2 (0.46) | KDM4ECYP3A4MAPTTSHRHRAS | |
| SCHEMBL8827260 | 0.80 | KCNH2 (0.50) | KCNH2DRD1DRD3CHRM2HTR1A | |
| Bicarbonate SCHEMBL28338933 | 0.79 | SMN1; SMN2 (0.46) | CYP3A4MAPTTSHRHRASCYP2D6 |
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-110483436-A | A method of preparing 4- benzyl -2- hydroxy-morpholine -3- ketone | XIAN CATALYST NEW MAT CO LTD | 2019-11-22 | — | — | CN | disclosed |