Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | GRM5 | P41594 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | RECQL | P46063 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.36 |
| ▸ | TYR | P14679 | 2/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL24941131 | 1.00 | HTR1A (0.40) | HTR1AHTR7HRH1DRD3HTR2B | |
| SCHEMBL24941127 | 0.77 | SMPD3 (0.30) | — | |
| SCHEMBL24941130 | 0.76 | — | — | |
| SCHEMBL28846456 | 0.74 | MAPK1 (0.46) | ALDH1A1KDM4EGRM5MAPTRECQL | |
| SCHEMBL29893702 | 0.74 | MAPK1 (0.46) | ALDH1A1KDM4EGRM5MAPTRECQL | |
| SCHEMBL24941129 | 0.74 | — | — | |
| SCHEMBL21555613 | 0.67 | TYR (0.46) | ALDH1A1GRM5MAPTRECQLCYP1A2 | |
| SCHEMBL28846377 | 0.65 | HTR3A (0.36) | — | |
| SCHEMBL399990 | 0.64 | ALDH1A1 (0.54) | ALDH1A1KDM4EGRM5MAPTRECQL | |
| SCHEMBL24719019 | 0.64 | ALDH1A1 (0.54) | ALDH1A1KDM4EMAPTRECQLCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4055026-A1 | COMPOUNDS AS CD73 INHIBITORS | Bioardis LLC (US) | 2022-09-14 | — | — | EP | disclosed |