Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 7/20 | 0.58 |
| ▸ | HTR2C | P28335 | 6/20 | 0.58 |
| ▸ | HTR2B | P41595 | 6/20 | 0.58 |
| ▸ | HTR3A | P46098 | 3/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.58 |
| ▸ | HTR1A | P08908 | 2/20 | 0.58 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.58 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.58 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.58 |
| ▸ | DRD1 | P21728 | 2/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.58 |
| ▸ | HTR7 | P34969 | 2/20 | 0.58 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.58 |
| ▸ | HRH1 | P35367 | 2/20 | 0.58 |
| ▸ | DRD3 | P35462 | 2/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL24639936 | 0.81 | HTR2A (0.42) | HTR2AHTR2CHTR2BHTR3ACYP1A2 | |
| SCHEMBL25043797 | 0.77 | HTR2A (0.46) | HTR2AHTR2CHTR2BHTR3ACYP1A2 | |
| SCHEMBL24640162 | 0.75 | HTR2A (0.45) | HTR2AHTR2CHTR2BHTR3ACYP1A2 | |
| SCHEMBL24640217 | 0.75 | HTR2A (0.45) | HTR2AHTR2CHTR2BHTR3ACYP1A2 | |
| SCHEMBL24640253 | 0.75 | HTR2A (0.45) | HTR2AHTR2CHTR2BHTR3ACYP1A2 | |
| SCHEMBL24640361 | 0.75 | HTR2A (0.45) | HTR2AHTR2CHTR2BHTR3ACYP1A2 | |
| SCHEMBL1769826 | 0.75 | DRD2 (0.51) | HTR2AHTR2CHTR2BHTR3ACYP1A2 | |
| SCHEMBL24640370 | 0.74 | HTR2A (0.50) | HTR2AHTR2CHTR2BHTR3ACYP1A2 | |
| SCHEMBL21278358 | 0.74 | HTR2A (0.63) | HTR2AHTR2CHTR2BHTR3ACYP1A2 | |
| SCHEMBL24640151 | 0.73 | HTR2A (0.43) | HTR2AHTR2CHTR2BHTR3ACYP1A2 |
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-2022170974-A1 | TRICYCLIC DERIVATIVES USEFUL AS PARP7 INHIBITORS | JACOBIO PHARMACEUTICALS CO., LTD. (CN) | 2022-08-18 | — | — | WO | disclosed |