Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | HPGD | P15428 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14964014 | 0.93 | ENPP3 (0.43) | DHFRCA12CA1CA2CA9 | |
| SCHEMBL14964003 | 0.92 | DHFR (0.44) | DHFRALDH1A1KDM4EHPGDMAPT | |
| SCHEMBL14964007 | 0.85 | HPRT1 (0.44) | DHFRCYP1A1CYP1B1ALDH1A1HPGD | |
| SCHEMBL14964002 | 0.84 | CHEK1 (0.38) | ALDH1A1KDM4EHPGDMAPTMAPK1 | |
| SCHEMBL10054165 | 0.82 | KCNQ3 (0.37) | DHFRCYP1A1CYP1B1ALDH1A1KDM4E | |
| SCHEMBL14964008 | 0.81 | GPR84 (0.38) | CYP1A1CYP1B1KDM4ETSHRGPR84 | |
| SCHEMBL14964006 | 0.78 | MAP3K8 (0.36) | ALDH1A1KDM4EHPGDMAPTTSHR | |
| SCHEMBL14964019 | 0.77 | ALDH1A1 (0.42) | CYP1A1CYP1B1ALDH1A1HPGDMAPT | |
| SCHEMBL14964010 | 0.76 | MAP3K8 (0.35) | CYP1A1CYP1B1ALDH1A1KDM4EHPGD | |
| SCHEMBL14964021 | 0.76 | ALDH1A1 (0.41) | CYP1A1CYP1B1ALDH1A1HPGDMAPT |
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 |