Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.39 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.39 |
| ▸ | PRMT8 | Q9NR22 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10153844 | 0.97 | CYP1A2 (0.54) | CYP1A2CHRM5ADRA2CHRH3CARM1 | |
| SCHEMBL10949210 | 0.92 | CHRM5 (0.54) | CYP1A2CHRM5ADRA2CHRH3 | |
| SCHEMBL30340999 | 0.90 | CHRM5 (0.58) | CYP1A2CHRM5ADRA2CHRH3 | |
| SCHEMBL12945 | 0.90 | CHRM5 (0.58) | CYP1A2CHRM5ADRA2CHRH3 | |
| SCHEMBL3218288 | 0.90 | CHRM5 (0.58) | CYP1A2CHRM5ADRA2CHRH3 | |
| SCHEMBL14686114 | 0.89 | DRD2 (0.48) | CYP1A2CHRM5ADRA2CHRH3DRD2 | |
| SCHEMBL14686115 | 0.89 | DRD2 (0.48) | CYP1A2CHRM5ADRA2CHRH3DRD2 | |
| Hydrochloric Acid SCHEMBL2514759 | 0.87 | DRD2 (0.47) | CYP1A2CHRM5ADRA2CHRH3DRD2 | |
| Hydrochloric Acid SCHEMBL2514757 | 0.87 | DRD2 (0.47) | CYP1A2CHRM5ADRA2CHRH3DRD2 | |
| SCHEMBL3437028 | 0.85 | CYP1A2 (0.48) | CYP1A2CHRM5ADRA2CHRH3CARM1 |
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-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 |
| WO-1998039295-A1 | (R)N-(1-CYCLOPROPYLMETHYLPYRROLIDIN-2-YLMETHYL)BENZAMIDE AND ITS USE AS AN ANTIDIARRHOEAL | JOUVEINAL (FR) | 1998-09-11 | — | — | WO | disclosed |