Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP3 | O14638 | 1/20 | 0.43 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 5/20 | 0.41 |
| ▸ | CA1 | P00915 | 5/20 | 0.41 |
| ▸ | CA2 | P00918 | 5/20 | 0.41 |
| ▸ | CA9 | Q16790 | 5/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | DHFR | P00374 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 7/20 | 0.37 |
| ▸ | PPARA | Q07869 | 7/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | PPARD | Q03181 | 1/20 | 0.37 |
| ▸ | PRKDC | P78527 | 1/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.37 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14964009 | 0.93 | DHFR (0.39) | ENPP3ENPP1CA12CA1CA2 | |
| SCHEMBL14964003 | 0.91 | DHFR (0.44) | ENPP3ENPP1CA12CA1CA2 | |
| SCHEMBL14964007 | 0.84 | HPRT1 (0.44) | DHFRCYP2C9CYP2C19 | |
| SCHEMBL14964008 | 0.82 | GPR84 (0.38) | HDAC8CYP2C9CYP2C19MAPK14 | |
| SCHEMBL10054160 | 0.82 | PPARG (0.40) | ENPP3ENPP1CA12CA1CA2 | |
| SCHEMBL14964019 | 0.79 | ALDH1A1 (0.42) | MAPK14 | |
| SCHEMBL14964021 | 0.78 | ALDH1A1 (0.41) | MAPK14 | |
| SCHEMBL14964002 | 0.76 | CHEK1 (0.38) | PPARG | |
| SCHEMBL14964011 | 0.75 | IKBKB (0.43) | HDAC8CYP2C9CYP2C19MAPK14 | |
| SCHEMBL10054165 | 0.75 | KCNQ3 (0.37) | ENPP1CA12CA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| US-9394406-B2 | Polymers containing substituted benzodithiophene units, blends comprising these polymers, and devices comprising these polymers or blends | MERCK PATENT GMBH (DE) | 2016-07-19 | — | — | US | disclosed |
| US-20130126855-A1 | POLYMERS CONTAINING SUBSTITUTED BENZODITHIOPHENE UNITS, BLENDS COMPRISING THESE POLYMERS, AND DEVICES COMPRISING THESE POLYMERS OR BLENDS | MERCK PATENT GMBH (DE) | 2013-05-23 | — | — | US | disclosed |