Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FPR2 | P25090 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.50 |
| ▸ | HTR2A | P28223 | 2/20 | 0.46 |
| ▸ | HTR2C | P28335 | 2/20 | 0.46 |
| ▸ | HTR2B | P41595 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 2/20 | 0.43 |
| ▸ | TDO2 | P48775 | 2/20 | 0.43 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL22605696 | 0.78 | HRH3 (0.51) | FPR2CYP3A4SCN9AMEN1KMT2A | |
| SCHEMBL5450696 | 0.72 | KCNH2 (0.55) | CYP3A4ALOX15TP53MAPTTSHR | |
| SCHEMBL16539774 | 0.72 | SCN9A (0.80) | FPR2SCN9AIDO1TDO2MMP2 | |
| Hydrochloric Acid SCHEMBL30152527 | 0.71 | KCNH2 (0.54) | CYP3A4ALOX15TP53MAPTTSHR | |
| SCHEMBL11838498 | 0.70 | LTA4H (0.57) | HTR2AHTR2CHTR2BIDO1TDO2 | |
| SCHEMBL4141843 | 0.70 | HTR2A (0.46) | FPR2HTR2AHTR2CHTR2BSSTR5 | |
| SCHEMBL21445197 | 0.70 | FPR2 (1.00) | FPR2CYP3A4ALOX15TP53MAPT | |
| SCHEMBL6532913 | 0.69 | HIF1A (0.60) | CYP3A4ALOX15TP53MAPTTSHR | |
| SCHEMBL2090287 | 0.69 | ALDH1A1 (0.47) | CYP3A4ALOX15TP53MAPTTSHR | |
| SCHEMBL18164592 | 0.69 | SIGMAR1 (0.54) | CYP3A4MAPTTSHRMAPK1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020216378-A1 | HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME | 健艾仕生物医药有限公司 | 2020-10-29 | — | — | WO | disclosed |