Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GNAI3 | P08754 | 2/20 | 0.47 |
| ▸ | GNAO1 | P09471 | 2/20 | 0.47 |
| ▸ | GNAI1 | P63096 | 2/20 | 0.47 |
| ▸ | HRH2 | P25021 | 1/20 | 0.45 |
| ▸ | HRH1 | P35367 | 1/20 | 0.45 |
| ▸ | BCHE | P06276 | 5/20 | 0.43 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.39 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.38 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | DRD5 | P21918 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL29743952 | 0.96 | GNAI3 (0.54) | GNAI3GNAO1GNAI1HRH2HRH1 | |
| Trifluoroacetic Acid SCHEMBL28249295 | 0.91 | HRH2 (0.41) | GNAI3GNAO1GNAI1HRH2HRH1 | |
| Trifluoroacetic Acid SCHEMBL15608174 | 0.84 | SMN1; SMN2 (0.43) | GNAI3GNAO1GNAI1HRH2HRH1 | |
| Trifluoroacetic Acid SCHEMBL28249931 | 0.84 | SMN1; SMN2 (0.43) | GNAI3GNAO1GNAI1HRH2HRH1 | |
| Trifluoroacetic Acid SCHEMBL15608029 | 0.84 | SMN1; SMN2 (0.43) | GNAI3GNAO1GNAI1HRH2HRH1 | |
| SCHEMBL6119163 | 0.84 | GNAI3 (0.63) | GNAI3GNAO1GNAI1HRH2HRH1 | |
| Trifluoroacetic Acid SCHEMBL15158324 | 0.84 | DPP4 (0.47) | BCHEDPP8DPP7DPP4HRH3 | |
| Trifluoroacetic Acid SCHEMBL28249914 | 0.82 | ARG1 (0.45) | HRH2HRH1DPP8DPP7DPP4 | |
| Trifluoroacetic Acid SCHEMBL28249916 | 0.82 | HRH2 (0.39) | HRH2HRH1DPP8DPP7DPP4 | |
| Trifluoroacetic Acid SCHEMBL28155360 | 0.79 | SMN1; SMN2 (0.54) | GNAI3GNAO1GNAI1BCHECPB2 |
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-108727343-A | Quinazolinones PARP-1/2 inhibitor containing 3- amino nafoxidines and preparation method thereof, pharmaceutical composition and purposes | 中国医学科学院药物研究所 | 2018-11-02 | — | — | CN | disclosed |