Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.39 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | GSTK1 | Q9Y2Q3 | 2/20 | 0.35 |
| ▸ | PPM1B | O75688 | 1/20 | 0.35 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.35 |
| ▸ | PTGFR | P43088 | 1/20 | 0.35 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | ENPEP | Q07075 | 1/20 | 0.34 |
| ▸ | ACE | P12821 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28751694 | 0.98 | FFAR4 (0.39) | HRH3FFAR4FFAR1ALDH1A1GSTK1 | |
| SCHEMBL31457113 | 0.85 | HRH3 (0.36) | HRH3FFAR4FFAR1ALDH1A1GSTK1 | |
| SCHEMBL18939490 | 0.71 | HRH3 (0.43) | HRH3CYP1A2LMNATSHRNFKB1 | |
| SCHEMBL27778767 | 0.70 | TSHR (0.43) | HRH3FFAR4FFAR1ALDH1A1LMNA | |
| SCHEMBL11728789 | 0.69 | CYP1A2 (0.46) | HRH3CYP1A2 | |
| SCHEMBL1855151 | 0.69 | CYP1A2 (0.46) | HRH3CYP1A2 | |
| SCHEMBL17598220 | 0.69 | HRH3 (0.60) | HRH3CYP1A2 | |
| SCHEMBL4598928 | 0.69 | CYP1A2 (0.46) | FFAR4FFAR1ALDH1A1CYP1A2GSTK1 | |
| SCHEMBL24823359 | 0.68 | FOLH1 (0.34) | ALDH1A1CYP1A2CYP2C19GSTK1PPM1B | |
| SCHEMBL11626844 | 0.68 | HRH3 (0.56) | HRH3CYP1A2CYP2C19LMNATSHR |
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-114560846-A | Multifunctional chemical cross-linking agent and preparation method and application thereof | 中国科学院大连化学物理研究所 | 2022-05-31 | — | — | CN | disclosed |