Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | DGKA | P23743 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 2/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | CTSK | P43235 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | PAM | P19021 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | NAAA | Q02083 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.34 |
| ▸ | CTSG | P08311 | 1/20 | 0.34 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.34 |
| ▸ | CMA1 | P23946 | 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 | |
|---|---|---|---|---|
| SCHEMBL27943916 | 0.78 | EPHX1 (0.48) | ALDH1A1DGKACES1CES2TSHR | |
| SCHEMBL242588 | 0.76 | ALDH1A1 (0.68) | ALDH1A1DGKACES1CES2TSHR | |
| SCHEMBL28498196 | 0.76 | FAAH (0.45) | ALDH1A1DGKACES1CES2TSHR | |
| SCHEMBL30134386 | 0.76 | ALDH1A1 (0.44) | ALDH1A1DGKACES1CES2TSHR | |
| SCHEMBL28017653 | 0.76 | HPGD (0.32) | ALDH1A1CTSK | |
| SCHEMBL1160753 | 0.74 | ALDH1A1 (0.59) | ALDH1A1DGKACES1CES2TSHR | |
| SCHEMBL7662969 | 0.74 | ALDH1A1 (0.52) | ALDH1A1DGKACES1CES2TSHR | |
| SCHEMBL28493062 | 0.74 | ACHE (0.57) | — | |
| SCHEMBL3019712 | 0.74 | CES2 (0.35) | ALDH1A1DGKACES1CES2CTSK | |
| Fluoride SCHEMBL28138819 | 0.74 | ALDH1A1 (0.65) | ALDH1A1DGKACES1CES2TSHR |
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-111094233-B | Compounds, compositions, and methods | 戴纳立制药公司 | 2024-03-15 | — | — | CN | disclosed |