Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 6/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 5/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | CDK4 | P11802 | 1/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10372161 | 0.82 | KDM4E (0.48) | LMNAMAPK1CYP2D6CYP2C19KDM4E | |
| SCHEMBL10454477 | 0.82 | TAAR1 (0.45) | LMNATRPA1ALDH1A1ALOX5MAPK1 | |
| SCHEMBL6257167 | 0.77 | CHRNB2 (0.42) | LMNATRPA1ALDH1A1ALOX5MAPK1 | |
| SCHEMBL68782 | 0.77 | HTR2A (0.46) | HTR2ATAAR1CYP2D6CYP2C19HRH1 | |
| SCHEMBL6718630 | 0.73 | HTR2A (0.42) | LMNAHTR2ATAAR1CYP2C19HRH1 | |
| SCHEMBL6718628 | 0.73 | HTR2A (0.42) | LMNAHTR2ATAAR1CYP2C19HRH1 | |
| SCHEMBL7238650 | 0.72 | HCAR2 (0.44) | LMNAALDH1A1MAPK1CYP2D6CYP2C19 | |
| SCHEMBL7239259 | 0.72 | HCAR2 (0.44) | LMNAALDH1A1MAPK1CYP2D6CYP2C19 | |
| SCHEMBL3144362 | 0.72 | HCAR2 (0.44) | LMNAALDH1A1MAPK1CYP2D6CYP2C19 | |
| SCHEMBL6905011 | 0.72 | ALDH1A1 (0.46) | LMNATRPA1ALDH1A1ALOX5MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009002276-A1 | PROCESS FOR ALDOL CONDENSATION FOR PREPARATION OF α,β-UNSATURATED ALDEHYDE OR KETONE AND APPLICATION THEREOF IN SYNTHESIS OF SUBSTITUTED PYRROLE OR ARYLATION OF α,β-UNSATURATED ENAL | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2008-12-31 | — | — | WO | disclosed |