Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | SLC1A3 | P43003 | 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 | |
|---|---|---|---|---|
| SCHEMBL140993 | 0.91 | KMT2A (0.43) | KMT2AMEN1ESR1ESR2GAA | |
| SCHEMBL28060735 | 0.86 | CYP1A2 (0.51) | KMT2AMEN1ESR1ESR2GAA | |
| SCHEMBL6156140 | 0.82 | CASP1 (0.43) | KMT2AMEN1ESR1ESR2GAA | |
| SCHEMBL6154454 | 0.80 | POLB (0.41) | KMT2AMEN1ESR1ESR2GAA | |
| SCHEMBL6157266 | 0.79 | ALDH1A1 (0.39) | KMT2AMEN1ESR1ESR2GAA | |
| SCHEMBL10916647 | 0.79 | MEN1 (0.41) | KMT2AMEN1ESR1ESR2GAA | |
| SCHEMBL6982217 | 0.79 | LMNA (0.44) | KMT2AMEN1ESR1ESR2GAA | |
| SCHEMBL6154515 | 0.78 | POLB (0.37) | KMT2AMEN1ESR1ESR2GAA | |
| SCHEMBL8216091 | 0.78 | TK1 (0.46) | KMT2AMEN1ESR1ESR2GAA | |
| SCHEMBL11591943 | 0.77 | KMT2A (0.47) | KMT2AMEN1HTTCA1CA2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6682916-B2 | CHEMICAL INTERMEDIATE FOR DRUGS; REDUCTION USING ENZYME | KANEKA CORPORATION (JP) | 2004-01-27 | — | — | US | disclosed |
| EP-1298119-A1 | CHLOROHYDROXYACETONE DERIVATIVE AND PROCESS FOR PRODUCING OPTICALLY ACTIVE CHLOROPROPANEDIOL DERIVATIVE FROM THE SAME | KANEKA CORPORATION (JP) | 2003-04-02 | — | — | EP | disclosed |
| US-20020160398-A1 | Chlorohydroxyacetone derivative and process for producing optically active chloropropanediol derivative from the same | KANEKA CORPORATION (JP) | 2002-10-31 | — | — | US | disclosed |