Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.50 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.50 |
| ▸ | ACP3 | P15309 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8721667 | 0.97 | CHRNB2 (0.54) | CHRNB2CHRNA4ACP3ALDH1A1MAPK1 | |
| SCHEMBL11218980 | 0.94 | ALDH1A1 (0.50) | CHRNB2CHRNA4ACP3ALDH1A1MAPK1 | |
| SCHEMBL12880577 | 0.91 | CES2 (0.48) | CHRNB2CHRNA4MAPK1CES2CES1 | |
| SCHEMBL67123 | 0.88 | CES2 (0.50) | MAPK1CES2CES1TRPA1CYP2D6 | |
| SCHEMBL11642941 | 0.84 | CHRNB2 (0.42) | CHRNB2CHRNA4ACP3ALDH1A1MAPK1 | |
| SCHEMBL11576225 | 0.81 | HTR2A (0.58) | ALDH1A1MAPK1CES2CES1TRPA1 | |
| SCHEMBL14528562 | 0.79 | CES2 (0.39) | CHRNB2CHRNA4CES2CES1TRPA1 | |
| SCHEMBL1528588 | 0.79 | IDO1 (0.54) | ALDH1A1MAPK1TRPA1CYP3A4CYP2D6 | |
| SCHEMBL7520122 | 0.79 | LMNA (0.42) | ALDH1A1CES2CES1TRPA1USP2 | |
| SCHEMBL1272990 | 0.79 | LMNA (0.48) | CES2CES1TRPA1TSHRHPGD |
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 |