Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 3/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | HTR2B | P41595 | 1/20 | 0.45 |
| ▸ | HSD11B1 | P28845 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28980582 | 0.82 | HTR2C (0.47) | HTR2CCA12CA1CA2CA4 | |
| SCHEMBL30548322 | 0.74 | HTR2C (0.47) | HTR2CCA12CA1CA2CA4 | |
| SCHEMBL28528184 | 0.74 | POLB (0.44) | HTR2CCA12CA1CA2CA4 | |
| SCHEMBL1515163 | 0.72 | HTR2C (0.75) | HTR2CCA12CA1CA2CA4 | |
| SCHEMBL27385857 | 0.71 | HTR2C (0.52) | HTR2CCA12CA1CA2CA4 | |
| SCHEMBL17980497 | 0.71 | KDM1A (0.42) | HTR2AALDH1A1MAPTSMN1; SMN2CYP3A4 | |
| SCHEMBL2045590 | 0.71 | MEN1 (0.40) | HTR2CCA12CA2CA4CA14 | |
| 1,2-Dimethoxybenzene SCHEMBL28602492 | 0.69 | CA1 (0.93) | CA12CA1CA2CA4CA7 | |
| SCHEMBL935859 | 0.69 | HTR2C (0.50) | HTR2CCA12CA1CA2CA4 | |
| SCHEMBL7545433 | 0.69 | HTR2C (0.70) | HTR2CCA12CA1CA2CA4 |
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-110003110-B | Aryl beta-aminoketone compound and preparation method thereof | 南京工业大学 | 2022-09-06 | — | — | CN | claimed |
| CN-110003110-B | Aryl beta-aminoketone compound and preparation method thereof | 南京工业大学 | 2022-09-06 | — | — | CN | disclosed |