Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | TEAD1 | P28347 | 1/20 | 0.32 |
| ▸ | DYRK1A | Q13627 | 4/20 | 0.31 |
| ▸ | WNT1 | P04628 | 3/20 | 0.31 |
| ▸ | SCN1A | P35498 | 1/20 | 0.30 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.30 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.30 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | DRD4 | P21917 | 1/20 | 0.30 |
| ▸ | CCR3 | P51677 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1700232 | 0.74 | CTSK (0.54) | EPHX1 | |
| SCHEMBL1700512 | 0.74 | CTSK (0.54) | EPHX1 | |
| SCHEMBL1700233 | 0.74 | CTSK (0.54) | EPHX1 | |
| SCHEMBL1920906 | 0.73 | SCN1A (0.42) | SCN1ASCN5ASCN9A | |
| SCHEMBL908356 | 0.71 | ALDH1A1 (0.46) | EPHX1 | |
| SCHEMBL1920767 | 0.71 | SIGMAR1 (0.55) | DRD2DRD4CCR3 | |
| SCHEMBL27716512 | 0.71 | PKM (0.36) | — | |
| SCHEMBL27746258 | 0.70 | EPHX1 (0.41) | EPHX1 | |
| SCHEMBL1787822 | 0.70 | EPHX1 (0.41) | EPHX1 | |
| SCHEMBL1921313 | 0.69 | SIGMAR1 (0.58) | — |
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 |