Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 4/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 6/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 6/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 5/20 | 0.43 |
| ▸ | CHRNA3 | P32297 | 5/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.42 |
| ▸ | HTR2A | P28223 | 2/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10401509 | 0.84 | HTR2C (0.56) | HTR2CHTR2AMAOAHTR2B | |
| SCHEMBL11263002 | 0.83 | HTR2A (0.53) | HTR2CHTR2AHTR2B | |
| SCHEMBL11264196 | 0.81 | CYP2D6 (0.49) | HTR2CHTR2AHTR2B | |
| SCHEMBL22667384 | 0.80 | HTR2C (0.70) | HTR2CCHRNB2CHRNA4CHRNB4CHRNA3 | |
| Hydrochloric Acid SCHEMBL11269391 | 0.80 | CYP2D6 (0.47) | HTR2CHTR2AHTR2B | |
| SCHEMBL1613815 | 0.79 | ALDH1A1 (0.55) | ALDH1A1HTR2CCYP1A1CYP1B1 | |
| SCHEMBL5584971 | 0.79 | HTR2C (0.69) | ALDH1A1HTR2CHTR2AADRB1MAOA | |
| SCHEMBL15151146 | 0.78 | MAOA (0.51) | ALDH1A1CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL12297790 | 0.77 | HTR2C (0.50) | ALDH1A1HTR2CCYP1A1CYP1B1 | |
| SCHEMBL12026078 | 0.76 | ALDH1A1 (0.50) | ALDH1A1HTR2CCHRNB2CHRNA4CHRNB4 |
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-116514806-A | Biological inhibitor containing acrylketone, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2023-08-01 | — | — | CN | disclosed |