Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKCA | P17252 | 2/20 | 0.34 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.32 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.32 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.31 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5084459 | 1.00 | PRKCA (0.34) | PRKCAKEAP1NFE2L2HCAR2TSHR | |
| SCHEMBL23533359 | 0.78 | PRKCA (0.40) | PRKCATSHRALDH1A1 | |
| SCHEMBL10248604 | 0.78 | HCAR2 (0.34) | PRKCAKEAP1NFE2L2HCAR2TSHR | |
| SCHEMBL11225493 | 0.75 | HCAR2 (0.39) | PRKCAKEAP1NFE2L2HCAR2TSHR | |
| SCHEMBL14599741 | 0.73 | HCAR2 (0.37) | KEAP1NFE2L2HCAR2TSHRALDH1A1 | |
| SCHEMBL10248672 | 0.71 | ALDH1A1 (0.35) | KEAP1NFE2L2HCAR2TSHRALDH1A1 | |
| SCHEMBL10248707 | 0.71 | TSHR (0.35) | PRKCAKEAP1NFE2L2HCAR2TSHR | |
| SCHEMBL13993770 | 0.70 | TSHR (0.37) | KEAP1NFE2L2HCAR2TSHRALDH1A1 | |
| SCHEMBL518574 | 0.69 | — | — | |
| SCHEMBL9285717 | 0.69 | SMN1; SMN2 (0.44) | PRKCATSHRALDH1A1NFKB1NFKB2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1912936-A2 | STEREOSELECTIVE SYNTHESIS OF 3,4-DISUBSTITUTED CYCLOPENTANONES AND RELATED COMPOUNDS | Pharmacia & Upjohn Company LLC (US) | 2008-04-23 | — | — | EP | disclosed |
| WO-2007010387-A2 | STEREOSELECTIVE SYNTHESIS OF 3,4-DISUBSTITUTED CYCLOPENTANONES AND RELATED COMPOUNDS | PHARMACIA & UPJOHN COMPANY LLC (US) | 2007-01-25 | — | — | WO | disclosed |