Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.48 |
| ▸ | DPP4 | P27487 | 2/20 | 0.45 |
| ▸ | F2 | P00734 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 2/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | MTOR | P42345 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | GRM7 | Q14831 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL67123 | 0.97 | CES2 (0.50) | CES2CES1TRPA1DPP4F2 | |
| SCHEMBL12880591 | 0.91 | CHRNB2 (0.50) | CES2CES1TRPA1DPP4F2 | |
| SCHEMBL8721667 | 0.89 | CHRNB2 (0.54) | CES2CES1TRPA1HTR2ATAAR1 | |
| SCHEMBL11576225 | 0.89 | HTR2A (0.58) | CES2CES1TRPA1HTR2ALMNA | |
| SCHEMBL7520122 | 0.87 | LMNA (0.42) | CES2CES1TRPA1LMNA | |
| SCHEMBL10766035 | 0.87 | CES2 (0.39) | CES2CES1TRPA1DPP4F2 | |
| SCHEMBL14528562 | 0.87 | CES2 (0.39) | CES2CES1TRPA1DPP4F2 | |
| SCHEMBL1528588 | 0.87 | IDO1 (0.54) | TRPA1TSHRCYP2D6LMNAMAPK1 | |
| SCHEMBL1272990 | 0.87 | LMNA (0.48) | CES2CES1TRPA1TSHRLMNA | |
| SCHEMBL30961545 | 0.87 | PDPK1 (0.42) | CES2CES1TRPA1DPP4F2 |
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-7884175-B2 | polymerizing one or more monomers containing dihalogen containing substituted biaryls, via a base-induced dehydrohalogenation | MERCK PATENT GMBH (DE) | 2011-02-08 | — | — | US | disclosed |
| US-7884175-B2 | polymerizing one or more monomers containing dihalogen containing substituted biaryls, via a base-induced dehydrohalogenation | MERCK PATENT GMBH (DE) | 2011-02-08 | — | — | US | disclosed |
| EP-1623471-B1 | METHOD FOR CONTROLLING THE MOLECULAR WEIGHT DURING POLY(ARYLENE VINYLENE) SYNTHESIS, AND POLYMERS PRODUCED THEREWITH | MERCK PATENT GMBH (DE) | 2007-05-30 | — | — | EP | disclosed |