Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28525090 | 0.86 | CYP19A1 (0.43) | CYP19A1MAPTHTTDRD2ADRA1D | |
| SCHEMBL28525359 | 0.86 | CYP19A1 (0.41) | CYP19A1MAPTHTTDRD2ADRA1D | |
| SCHEMBL28531841 | 0.86 | MAPT (0.42) | CYP19A1MAPTHTTDRD2ADRA1D | |
| SCHEMBL28523774 | 0.84 | CYP19A1 (0.39) | CYP19A1MAPTHTTDRD2ADRA1D | |
| SCHEMBL28528987 | 0.84 | DRD2 (0.49) | CYP19A1MAPTHTTDRD2ADRA1D | |
| SCHEMBL2912296 | 0.82 | ALDH1A1 (0.52) | CYP19A1MAPTHTTALDH1A1SMN1; SMN2 | |
| SCHEMBL28526104 | 0.82 | ALDH1A1 (0.48) | CYP19A1MAPTHTTDRD2ADRA1D | |
| SCHEMBL28525391 | 0.81 | DRD2 (0.47) | CYP19A1MAPTHTTDRD2ADRA1D | |
| SCHEMBL28531882 | 0.81 | ALDH1A1 (0.44) | CYP19A1MAPTHTTDRD2ADRA1D | |
| SCHEMBL28486446 | 0.81 | ALDH1A1 (0.60) | MAPTHTTALDH1A1SMN1; SMN2LMNA |
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-111836819-A | Arylamine-substituted pyrrolopyrimidine compound, and preparation method and application thereof | 北京赛特明强医药科技有限公司 | 2020-10-27 | — | — | CN | disclosed |