Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FDPS | P14324 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 5/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15855762 | 1.00 | FDPS (0.43) | FDPSTSHRLMNACHRM1AKR1A1 | |
| SCHEMBL29232764 | 1.00 | FDPS (0.43) | FDPSTSHRLMNACHRM1AKR1A1 | |
| SCHEMBL1328891 | 1.00 | FDPS (0.43) | FDPSTSHRLMNACHRM1AKR1A1 | |
| SCHEMBL30575792 | 1.00 | FDPS (0.43) | FDPSTSHRLMNACHRM1AKR1A1 | |
| SCHEMBL22249 | 0.96 | — | — | |
| Phosphine SCHEMBL27893484 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL27570124 | 0.92 | — | — | |
| SCHEMBL28222123 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL9798772 | 0.92 | FDPS (0.43) | FDPSTSHRLMNACHRM1AKR1A1 | |
| SCHEMBL412444 | 0.90 | LMNA (0.40) | FDPSTSHRLMNACHRM1AKR1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109336887-B | Benzimidazole chiral heterocyclic compound and preparation method and application thereof | 中山大学 | 2021-12-17 | — | — | CN | claimed |
| CN-106831862-B | Chiral bridged axial chiral monophosphine ligand and preparation method thereof | 中山大学 | 2021-01-15 | — | — | CN | claimed |
| CN-109336887-B | Benzimidazole chiral heterocyclic compound and preparation method and application thereof | 中山大学 | 2021-12-17 | — | — | CN | disclosed |
| CN-106831862-B | Chiral bridged axial chiral monophosphine ligand and preparation method thereof | 中山大学 | 2021-01-15 | — | — | CN | disclosed |