Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 3/20 | 0.37 |
| ▸ | HTR2C | P28335 | 3/20 | 0.37 |
| ▸ | HTR2B | P41595 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HTR7 | P34969 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | HTR3A | P46098 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL26958162 | 0.89 | HTR2A (0.44) | HTR2AHTR2CHTR2BCYP1A2CHRM2 | |
| SCHEMBL24675040 | 0.78 | TIPARP (0.40) | HTR2AHTR2CHTR2BCYP1A2CHRM2 | |
| SCHEMBL24640317 | 0.75 | TIPARP (0.33) | HTR2AHTR2CHTR2B | |
| SCHEMBL29841740 | 0.73 | HDAC6 (0.43) | — | |
| SCHEMBL26958203 | 0.72 | TIPARP (0.48) | HTR2AHTR2CHTR2BHRH4 | |
| SCHEMBL24674975 | 0.70 | HTR2C (0.43) | HTR2AHTR2CHTR2B | |
| SCHEMBL29841756 | 0.70 | HTR2C (0.43) | HTR2AHTR2CHTR2B | |
| SCHEMBL24675034 | 0.70 | ALDH1A1 (0.34) | HTR2AHTR2CHTR2BCYP1A2CHRM2 | |
| SCHEMBL24675022 | 0.70 | ALDH1A1 (0.34) | HTR2AHTR2CHTR2BCYP1A2CHRM2 | |
| SCHEMBL24675031 | 0.68 | PIK3CA (0.35) | HTR2AHTR2CHTR2BCYP1A2CHRM2 |
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-2022223022-A1 | FUSED-RING HETEROCYCLE DERIVATIVE AND MEDICAL APPLICATION THEREOF | 四川海思科制药有限公司 | 2022-10-27 | — | — | WO | disclosed |