Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | CDC25A | P30304 | 1/20 | 0.44 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.44 |
| ▸ | AKT1 | P31749 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 3/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.38 |
| ▸ | PTAFR | P25105 | 1/20 | 0.38 |
| ▸ | HTR1D | P28221 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8757327 | 0.90 | TSHR (0.59) | TSHRCYP3A4THRB | |
| SCHEMBL28329138 | 0.88 | TSHR (0.51) | TSHRLMNAESR1ADORA3CDC25A | |
| SCHEMBL368310 | 0.87 | LMNA (0.56) | TSHRLMNAESR1ADORA3CDC25A | |
| Phosphocholine SCHEMBL28111186 | 0.85 | TSHR (0.54) | TSHRLMNAESR1ADORA3CDC25A | |
| SCHEMBL18022725 | 0.85 | THRB (0.42) | TSHRLMNAADRA1ATHRBCHRM5 | |
| SCHEMBL481622 | 0.84 | TSHR (0.70) | TSHRCYP3A4THRB | |
| SCHEMBL28906170 | 0.83 | THRB (0.47) | TSHRCYP3A4LMNAESR1ADORA3 | |
| Phosphoric Acid SCHEMBL2037296 | 0.83 | THRB (0.43) | TSHRCYP3A4LMNAESR1ADORA3 | |
| SCHEMBL28595957 | 0.83 | TSHR (0.60) | TSHRLMNAESR1ADORA3CDC25A | |
| Phosphocholine SCHEMBL1949342 | 0.83 | TSHR (0.51) | TSHRLMNAESR1ADORA3CDC25A |
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-115301214-A | Choline phosphoric acid composite magnetic nano material and preparation method and application thereof | 暨南大学 | 2022-11-08 | — | — | CN | disclosed |
| CN-115301214-A | Choline phosphoric acid composite magnetic nano material and preparation method and application thereof | 暨南大学 | 2022-11-08 | — | — | CN | disclosed |