Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.35 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.35 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14964021 | 0.92 | ALDH1A1 (0.41) | ALDH1A1CYP1B1HSD17B10HIF1ACYP1A2 | |
| SCHEMBL14964011 | 0.87 | IKBKB (0.43) | ALDH1A1HSD17B10CYP1A2HPGDCYP2A6 | |
| SCHEMBL14964007 | 0.79 | HPRT1 (0.44) | ALDH1A1CYP1B1HSD17B10HIF1ACYP1A2 | |
| SCHEMBL14964014 | 0.79 | ENPP3 (0.43) | MAPK14 | |
| SCHEMBL14964008 | 0.79 | GPR84 (0.38) | CYP1B1HIF1ACYP1A2TSHRMAPK9 | |
| SCHEMBL14964009 | 0.77 | DHFR (0.39) | ALDH1A1CYP1B1HSD17B10HPGDCYP2A6 | |
| SCHEMBL14964002 | 0.77 | CHEK1 (0.38) | ALDH1A1HPGDMAPTNPC1RAB9A | |
| SCHEMBL14964003 | 0.77 | DHFR (0.44) | ALDH1A1HSD17B10CYP1A2HPGDCYP2A6 | |
| SCHEMBL14964005 | 0.76 | GAA (0.41) | ALDH1A1CYP1B1HSD17B10HIF1ACYP1A2 | |
| SCHEMBL14964006 | 0.75 | MAP3K8 (0.36) | ALDH1A1HPGDTSHRMAPTNPC1 |
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 |