Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | TP53 | P04637 | 3/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 7/20 | 0.41 |
| ▸ | THRB | P10828 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4632473 | 0.82 | ALDH1A1 (0.53) | ALDH1A1TP53HIF1ACYP3A4MAPK1 | |
| SCHEMBL28131094 | 0.79 | ALDH1A1 (0.50) | ALDH1A1TP53HIF1ACYP3A4MAPK1 | |
| SCHEMBL3762684 | 0.79 | ALDH1A1 (0.53) | ALDH1A1TP53HIF1ACYP3A4MAPK1 | |
| SCHEMBL19660295 | 0.76 | ALDH1A1 (0.59) | ALDH1A1TP53HIF1ACYP3A4MAPK1 | |
| SCHEMBL262028 | 0.76 | ALDH1A1 (0.59) | ALDH1A1TP53HIF1ACYP3A4MAPK1 | |
| SCHEMBL766774 | 0.76 | ALDH1A1 (0.59) | ALDH1A1TP53HIF1ACYP3A4MAPK1 | |
| SCHEMBL285659 | 0.76 | ALDH1A1 (0.59) | ALDH1A1TP53HIF1ACYP3A4MAPK1 | |
| SCHEMBL39919 | 0.76 | ALDH1A1 (0.59) | ALDH1A1TP53HIF1ACYP3A4MAPK1 | |
| Chloromethane SCHEMBL8427834 | 0.75 | ALDH1A1 (0.59) | ALDH1A1TP53HIF1ACYP3A4MAPK1 | |
| Trimethylammonium SCHEMBL27813536 | 0.75 | ALDH1A1 (0.53) | ALDH1A1TP53HIF1ACYP3A4MAPK1 |
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-112654248-A | Antimicrobial compositions comprising chlorhexidine | 3M创新有限公司 | 2021-04-13 | — | — | CN | disclosed |