Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.79 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.79 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.79 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.79 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 4/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 4/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 4/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | ACP3 | P15309 | 1/20 | 0.38 |
| ▸ | AOC3 | Q16853 | 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 | |
|---|---|---|---|---|
| SCHEMBL1643410 | 0.94 | ALDH1A1 (0.76) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL11444158 | 0.89 | ALDH1A1 (1.00) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL28192 | 0.79 | ALDH1A1 (0.74) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL18242412 | 0.77 | ALDH1A1 (0.71) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL28461729 | 0.76 | ALDH1A1 (0.68) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL2332847 | 0.76 | ALDH1A1 (0.68) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL9669273 | 0.75 | ALDH1A1 (0.67) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL6008494 | 0.75 | ALDH1A1 (0.67) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL12880576 | 0.74 | ALDH1A1 (0.54) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL2494544 | 0.74 | ALDH1A1 (0.65) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 |
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 |