Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.47 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 5/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 4/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.37 |
| ▸ | PTPRC | P08575 | 1/20 | 0.36 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.36 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.36 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.35 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.35 |
| ▸ | WNT3A | P56704 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| SCHEMBL27222109 | 1.00 | CYP2A6 (0.47) | CYP2A6DYRK1ACA2ADRB2CA12 | |
| SCHEMBL20023723 | 1.00 | CYP2A6 (0.47) | CYP2A6DYRK1ACA2ADRB2CA12 | |
| SCHEMBL3799813 | 0.84 | CYP2A6 (0.46) | CYP2A6DYRK1ACA2CA12PTPRC | |
| SCHEMBL19405853 | 0.81 | UGT2B7 (0.50) | CYP2A6DYRK1ACA2CA12PTPRC | |
| SCHEMBL23118523 | 0.81 | CYP2A6 (0.43) | CYP2A6DYRK1ACA2CA12PTPRC | |
| SCHEMBL25669800 | 0.79 | CYP2A6 (0.42) | CYP2A6DYRK1ACA2CA12PTPRC | |
| Butane SCHEMBL827112 | 0.78 | CYP2A6 (0.44) | CYP2A6DYRK1ACA2CA12PTPRC | |
| SCHEMBL25669799 | 0.78 | CYP2A6 (0.41) | CYP2A6DYRK1ACA2CA12PTPRC | |
| SCHEMBL25669798 | 0.78 | CYP2A6 (0.41) | CYP2A6DYRK1ACA2CA12PTPRC | |
| SCHEMBL3797741 | 0.78 | CYP2A6 (0.44) | CYP2A6DYRK1ACA2CA12CTNNB1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116854693-A | P2X 3 And/or P2X 2/3 Compounds and methods | 阿沙纳生物科学公司 | 2023-10-10 | — | — | CN | disclosed |
| CN-109996546-B | P2X 3 And/or P2X 2/3 Compounds and methods | 阿沙纳生物科学公司 | 2023-06-27 | — | — | CN | disclosed |