Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 4/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.43 |
| ▸ | HTR2C | P28335 | 3/20 | 0.43 |
| ▸ | HTR2B | P41595 | 3/20 | 0.43 |
| ▸ | HTR1A | P08908 | 2/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.43 |
| ▸ | DRD1 | P21728 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | HTR7 | P34969 | 2/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.43 |
| ▸ | HRH1 | P35367 | 2/20 | 0.43 |
| ▸ | DRD3 | P35462 | 2/20 | 0.43 |
| ▸ | HTR3A | P46098 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27242701 | 0.81 | OPRM1 (0.39) | ALDH1A1OPRM1KDM4ESMN1; SMN2GSK3B | |
| SCHEMBL25045262 | 0.79 | CYP1A2 (0.52) | HTR2ACYP1A2CHRM2CYP2D6CHRM1 | |
| SCHEMBL11453737 | 0.78 | KDM4E (0.62) | HTR2ACYP1A2CHRM2CYP2D6CHRM1 | |
| SCHEMBL11487740 | 0.77 | HTR2C (0.51) | HTR2ACYP1A2CYP2D6HTR2CHTR2B | |
| SCHEMBL25045512 | 0.77 | DTYMK (0.46) | DDB1CRBN | |
| SCHEMBL25043787 | 0.74 | DRD2 (0.43) | HTR2ACYP1A2CHRM2CYP2D6CHRM1 | |
| SCHEMBL25045260 | 0.74 | KDM4E (0.41) | HTR2ACYP1A2CHRM2CYP2D6CHRM1 | |
| SCHEMBL25045347 | 0.74 | KDM4E (0.41) | HTR2ACYP1A2CHRM2CYP2D6CHRM1 | |
| SCHEMBL31067329 | 0.73 | GRIN2B (0.45) | CYP2D6CYP2C9CYP2C19MEN1CYP3A4 | |
| SCHEMBL10280080 | 0.71 | HTR2A (0.37) | HTR2ACYP1A2CHRM2CYP2D6CHRM1 |
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-2023016521-A1 | SUBSTITUTED TRIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF | 上海赛默罗生物科技有限公司 | 2023-02-16 | — | — | WO | disclosed |