Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 6/20 | 0.54 |
| ▸ | GABRB2 | P47870 | 6/20 | 0.54 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 1/20 | 0.35 |
| ▸ | CTSG | P08311 | 1/20 | 0.35 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.35 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.34 |
| ▸ | ANPEP | P15144 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.34 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22781148 | 0.91 | GABRA1 (0.62) | GABRA1GABRB2ESR1KCNH2ELANE | |
| SCHEMBL599099 | 0.83 | GABRA1 (0.57) | GABRA1GABRB2KCNH2ELANENLRP3 | |
| SCHEMBL20059292 | 0.83 | TAAR1 (0.47) | GABRA1GABRB2 | |
| Water SCHEMBL27805467 | 0.83 | GABRA1 (0.46) | GABRA1GABRB2ESR1NR3C1PGR | |
| Ammonia Solution, Strong SCHEMBL9357829 | 0.81 | GABRA1 (0.55) | GABRA1GABRB2KCNH2ELANENLRP3 | |
| Water SCHEMBL28182555 | 0.81 | GABRA1 (0.55) | GABRA1GABRB2KCNH2ELANENLRP3 | |
| SCHEMBL20059276 | 0.80 | TAAR1 (0.46) | GABRA1GABRB2ESR1KCNH2 | |
| SCHEMBL11677650 | 0.80 | GABRA1 (0.56) | GABRA1GABRB2ESR1NR3C1PGR | |
| SCHEMBL4960855 | 0.79 | GABRA1 (0.54) | GABRA1GABRB2ALDH1A1POLB | |
| SCHEMBL4698684 | 0.79 | GABRA1 (0.50) | GABRA1GABRB2ESR1KCNH2ELANE |
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-110003110-B | Aryl beta-aminoketone compound and preparation method thereof | 南京工业大学 | 2022-09-06 | — | — | CN | disclosed |