Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.34 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 3/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.33 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.33 |
| ▸ | FPR1 | P21462 | 2/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | HRH2 | P25021 | 2/20 | 0.33 |
| ▸ | FPR3 | P25089 | 2/20 | 0.33 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.33 |
| ▸ | GPR183 | P32249 | 2/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27477248 | 1.00 | NPSR1 (0.34) | NPSR1GRM4HTR2ASIGMAR1CHRM2 | |
| SCHEMBL27477680 | 0.87 | MEN1 (0.41) | GRM4GPR35LMNATSHRKDM4E | |
| SCHEMBL27501641 | 0.81 | CYP1A2 (0.37) | GRM4HTR2ASIGMAR1LMNAHTR2C | |
| SCHEMBL27478116 | 0.79 | CYP1A2 (0.51) | GRM4GRM5 | |
| SCHEMBL7476839 | 0.79 | NPSR1 (0.40) | NPSR1HTR2ASIGMAR1CHRM2CHRM4 | |
| SCHEMBL7478191 | 0.77 | ALDH1A1 (0.34) | NPSR1LMNATSHRKDM4EALDH1A1 | |
| SCHEMBL7478196 | 0.77 | ALDH1A1 (0.34) | NPSR1LMNATSHRKDM4EALDH1A1 | |
| SCHEMBL7481101 | 0.75 | CYP1A2 (0.52) | NPSR1LMNATSHRALDH1A1MAPK1 | |
| SCHEMBL7481098 | 0.75 | CYP1A2 (0.52) | NPSR1LMNATSHRALDH1A1MAPK1 | |
| SCHEMBL7479782 | 0.75 | CYP1A2 (0.31) | — |
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-1143964-A | Pyrrolopyridazine derivative | SANKYO CO (JP) | 1997-02-26 | — | — | CN | claimed |
| CN-1143964-A | Pyrrolopyridazine derivative | SANKYO CO (JP) | 1997-02-26 | — | — | CN | disclosed |