Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR35 | Q9HC97 | 3/20 | 0.38 |
| ▸ | EPRS1 | P07814 | 1/20 | 0.37 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.37 |
| ▸ | LDHA | P00338 | 2/20 | 0.36 |
| ▸ | LDHB | P07195 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA7 | P43166 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MYC | P01106 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29684453 | 1.00 | GPR35 (0.38) | GPR35EPRS1PDE10ALDHALDHB | |
| SCHEMBL29693892 | 0.86 | TDP1 (0.39) | GPR35EPRS1PDE10ALDHALDHB | |
| SCHEMBL1085313 | 0.86 | TDP1 (0.39) | GPR35EPRS1PDE10ALDHALDHB | |
| SCHEMBL6825576 | 0.85 | CA12 (0.41) | GPR35LDHALDHBCA12CA1 | |
| SCHEMBL4422996 | 0.85 | CYP1A2 (0.41) | GPR35EPRS1SMN1; SMN2TSHRMYC | |
| SCHEMBL147587 | 0.85 | CA12 (0.46) | GPR35EPRS1LDHALDHBCA12 | |
| SCHEMBL23089488 | 0.83 | DPP4 (0.50) | GPR35PDE10AALDH1A1SMN1; SMN2NOTUM | |
| SCHEMBL31559931 | 0.83 | KDM4E (0.41) | GPR35EPRS1PDE10ALDHALDHB | |
| SCHEMBL3980785 | 0.83 | KDM4E (0.41) | GPR35EPRS1PDE10ALDHALDHB | |
| SCHEMBL22207932 | 0.83 | GPR35 (0.34) | GPR35EPRS1PDE10ALDHALDHB |
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-110642689-B | 3, 6-dibromo-2-methylbenzaldehyde and chemical synthesis method thereof | 南通大学 | 2022-06-24 | — | — | CN | claimed |
| CN-110642689-A | 3, 6-dibromo-2-methylbenzaldehyde and chemical synthesis method thereof | 南通大学 | 2020-01-03 | — | — | CN | claimed |
| CN-110642689-B | 3, 6-dibromo-2-methylbenzaldehyde and chemical synthesis method thereof | 南通大学 | 2022-06-24 | — | — | CN | disclosed |
| CN-110642689-A | 3, 6-dibromo-2-methylbenzaldehyde and chemical synthesis method thereof | 南通大学 | 2020-01-03 | — | — | CN | disclosed |