Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | HMGCR | P04035 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | EBP | Q15125 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8546247 | 0.89 | CYP3A4 (0.55) | CYP3A4USP2MAPK1SMN1; SMN2CYP2D6 | |
| SCHEMBL2874467 | 0.83 | CYP3A4 (0.67) | CYP3A4USP2MAPK1SMN1; SMN2CYP2D6 | |
| SCHEMBL30506419 | 0.83 | CYP3A4 (0.67) | CYP3A4USP2MAPK1SMN1; SMN2CYP2D6 | |
| SCHEMBL15864383 | 0.82 | ALDH1A1 (0.54) | CYP3A4USP2MAPK1SMN1; SMN2CYP2D6 | |
| SCHEMBL9559998 | 0.81 | CYP3A4 (0.47) | CYP3A4USP2MAPK1SMN1; SMN2CYP2D6 | |
| SCHEMBL1500114 | 0.81 | CYP3A4 (0.47) | CYP3A4USP2MAPK1SMN1; SMN2CYP2D6 | |
| SCHEMBL28225545 | 0.80 | CYP3A4 (0.53) | CYP3A4USP2MAPK1SMN1; SMN2CYP2D6 | |
| SCHEMBL4844145 | 0.80 | CYP3A4 (0.46) | CYP3A4USP2MAPK1SMN1; SMN2CYP2D6 | |
| SCHEMBL28390127 | 0.79 | CYP3A4 (0.51) | CYP3A4USP2MAPK1SMN1; SMN2CYP2D6 | |
| SCHEMBL27910086 | 0.78 | HMGCR (0.51) | CYP3A4USP2MAPK1SMN1; SMN2KMT2A |
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-110294732-A | Medical compounds and its application for treating hepatopathy | 江苏新元素医药科技有限公司 | 2019-10-01 | — | — | CN | disclosed |