Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | DRD4 | P21917 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29683755 | 1.00 | GABRA1 (0.33) | GABRA1GABRG2GABRB3CA2CA4 | |
| SCHEMBL11137568 | 0.86 | ALDH1A1 (0.32) | GABRA1GABRG2GABRB3CA2CA4 | |
| SCHEMBL31394482 | 0.84 | PDCD1 (0.34) | GABRA1GABRG2GABRB3 | |
| SCHEMBL31098402 | 0.84 | KDM4E (0.36) | GABRA1GABRG2GABRB3DRD4 | |
| SCHEMBL286284 | 0.84 | KDM4E (0.36) | GABRA1GABRG2GABRB3DRD4 | |
| SCHEMBL28815913 | 0.82 | CYP1A2 (0.35) | — | |
| SCHEMBL12945242 | 0.82 | CYP3A4 (0.32) | — | |
| SCHEMBL18070215 | 0.82 | CYP1A2 (0.35) | — | |
| SCHEMBL28417332 | 0.81 | DRD4 (0.39) | GABRA1GABRG2GABRB3CA2CA4 | |
| SCHEMBL17221218 | 0.79 | ERN1 (0.40) | CA2CA4 |
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 5 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 |
| CN-106432214-B | A method of preparing ROMK channel inhibitor intermediate | 成都拿盛科技有限公司 | 2019-05-07 | — | — | CN | disclosed |