Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.56 |
| ▸ | ESR1 | P03372 | 2/20 | 0.55 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.55 |
| ▸ | TACR2 | P21452 | 2/20 | 0.55 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.55 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.55 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | SHBG | P04278 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.55 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.55 |
| ▸ | HTR2C | P28335 | 1/20 | 0.55 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL24021959 | 1.00 | HTR2A (0.56) | HTR2AESR1ADRA2AADORA3TACR2 | |
| SCHEMBL10977710 | 0.92 | CA2 (0.47) | HTR2AESR1ADRA2AADORA3TACR2 | |
| SCHEMBL11194070 | 0.87 | RARB (0.50) | HTR2AHSD17B10ALDH1A1TSHR | |
| SCHEMBL17986526 | 0.86 | HTR2A (0.55) | HTR2AESR1ADRA2AADORA3TACR2 | |
| SCHEMBL1612445 | 0.85 | HTR2A (0.41) | HTR2AESR1ADRA2AADORA3TACR2 | |
| SCHEMBL1609940 | 0.85 | HTR2A (0.41) | HTR2AESR1ADRA2AADORA3TACR2 | |
| SCHEMBL1610997 | 0.85 | HTR2A (0.41) | HTR2AESR1ADRA2AADORA3TACR2 | |
| SCHEMBL23241044 | 0.85 | HTR2A (0.53) | HTR2AESR1ADRA2AADORA3TACR2 | |
| SCHEMBL7639716 | 0.85 | HTR2A (0.66) | HTR2AESR1ADRA2AADORA3TACR2 | |
| SCHEMBL4063423 | 0.84 | HTR2A (0.59) | HTR2AESR1ADRA2AADORA3TACR2 |
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-115010584-B | Method for synthesizing aromatic ketone by iron-catalyzed oxidation of tertiary carbon bond breaking of benzyl position | 南京师范大学 | 2023-12-12 | — | — | CN | disclosed |
| CN-115010584-A | Method for synthesizing arone by oxidizing benzyl tertiary carbon broken bond under catalysis of iron | 南京师范大学 | 2022-09-06 | — | — | CN | disclosed |