Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.37 |
| ▸ | CA2 | P00918 | 3/20 | 0.37 |
| ▸ | CA9 | Q16790 | 3/20 | 0.37 |
| ▸ | GPR68 | Q15743 | 3/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 4/20 | 0.33 |
| ▸ | DRD2 | P14416 | 3/20 | 0.33 |
| ▸ | HTR2A | P28223 | 3/20 | 0.33 |
| ▸ | HTR7 | P34969 | 3/20 | 0.33 |
| ▸ | HTR6 | P50406 | 3/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | PDE4A | P27815 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11594242 | 0.93 | CA1 (0.40) | CA1CA2CA9GPR68ADORA2A | |
| SCHEMBL66618 | 0.93 | CA1 (0.40) | CA1CA2CA9GPR68ADORA2A | |
| Water SCHEMBL2935542 | 0.91 | CA1 (0.39) | CA1CA2CA9GPR68ADORA2A | |
| Methane SCHEMBL8209913 | 0.91 | CA1 (0.39) | CA1CA2CA9GPR68ADORA2A | |
| Methyl Alcohol SCHEMBL736036 | 0.88 | CA1 (0.38) | CA1CA2CA9GPR68ADORA2A | |
| Ethane SCHEMBL8201842 | 0.88 | CA1 (0.38) | CA1CA2CA9GPR68ADORA2A | |
| SCHEMBL63021 | 0.88 | MCL1 (0.38) | CA1CA2CA9GPR68ADORA2A | |
| Alcohol SCHEMBL5090035 | 0.86 | MEN1 (0.38) | CA1CA2CA9GPR68ADORA2A | |
| Formaldehyde SCHEMBL14634454 | 0.86 | CA1 (0.41) | CA1CA2CA9GPR68ADORA2A | |
| SCHEMBL13993369 | 0.84 | CA1 (0.36) | CA1CA2CA9GPR68ADORA2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-112250858-B | Method for preparing flame-retardant polymer polyol, application and polyurethane foam plastic prepared by using flame-retardant polymer polyol | 万华化学集团股份有限公司 | 2022-07-12 | — | — | CN | disclosed |