Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SRC | P12931 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | TLR2 | O60603 | 1/20 | 0.32 |
| ▸ | ERN1 | O75460 | 1/20 | 0.32 |
| ▸ | TLR1 | Q15399 | 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 | |
|---|---|---|---|---|
| SCHEMBL17508181 | 0.80 | KMT2A (0.46) | MAPK1ALDH1A1ALOX15LMNAKMT2A | |
| SCHEMBL10591339 | 0.78 | ALDH1A1 (0.40) | MAPK1ALDH1A1ALOX15KMT2ABLM | |
| SCHEMBL1685290 | 0.76 | ERN1 (0.47) | CA1CA2ALDH1A1ALOX15LMNA | |
| SCHEMBL17267879 | 0.75 | LMNA (0.48) | MAPK1CA1CA2ALDH1A1LMNA | |
| SCHEMBL28586820 | 0.74 | LMNA (0.52) | MAPK1ALDH1A1ALOX15LMNAKMT2A | |
| SCHEMBL28101262 | 0.73 | MAPK1 (0.50) | MAPK1ALDH1A1ALOX15KMT2AMEN1 | |
| SCHEMBL19124043 | 0.73 | NFE2L2 (0.42) | ALDH1A1ESR1CYP3A4ESR2 | |
| SCHEMBL15427432 | 0.73 | NFE2L2 (0.42) | ALDH1A1ESR1CYP3A4ESR2 | |
| SCHEMBL180679 | 0.72 | CA2 (0.43) | CA1CA2ALDH1A1LMNAKMT2A | |
| SCHEMBL3805835 | 0.72 | CA1 (0.51) | MAPK1CA1CA2ALDH1A1LMNA |
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-102838637-B | Imine phenol oxygen base magnesium compound and its preparation method and application | EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) | 2015-08-19 | — | — | CN | disclosed |