Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.46 |
| ▸ | SOD3 | P08294 | 2/20 | 0.44 |
| ▸ | HRH1 | P35367 | 2/20 | 0.44 |
| ▸ | HRH2 | P25021 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Pyridine SCHEMBL28267914 | 0.78 | SOD3 (0.48) | SIGMAR1SOD3HRH1HRH2CHRM2 | |
| SCHEMBL19169972 | 0.77 | ALDH1A1 (0.55) | L3MBTL1ALDH1A1ALOX15TSHRSIGMAR1 | |
| Toluene SCHEMBL4272750 | 0.77 | SIGMAR1 (0.57) | ALDH1A1SIGMAR1SOD3HRH1HRH2 | |
| Pyrazine SCHEMBL28457383 | 0.76 | GNAO1 (0.51) | SIGMAR1SOD3HRH1HRH2GNAI3 | |
| SCHEMBL28709391 | 0.76 | SOD3 (0.44) | L3MBTL1ALDH1A1ALOX15TSHRSIGMAR1 | |
| Pyridine SCHEMBL28143472 | 0.76 | SOD3 (0.49) | ALDH1A1SIGMAR1SOD3HRH1HRH2 | |
| SCHEMBL44569 | 0.75 | GNAO1 (0.61) | SIGMAR1SOD3HRH1HRH2GNAI3 | |
| SCHEMBL9396737 | 0.75 | GNAO1 (0.61) | SIGMAR1SOD3HRH1HRH2GNAI3 | |
| SCHEMBL19177084 | 0.74 | CXCR4 (0.55) | L3MBTL1ALDH1A1ALOX15TSHRHRH1 | |
| SCHEMBL21581298 | 0.74 | GNAO1 (0.65) | SIGMAR1SOD3HRH1HRH2GNAI3 |
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-109336882-B | Fluorine-containing pyridine acyl piperazine compound and application thereof | 青岛科技大学 | 2021-08-17 | — | — | CN | claimed |