Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 5/20 | 0.38 |
| ▸ | IKBKB | O14920 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.34 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.34 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14964011 | 0.87 | IKBKB (0.43) | GPR84IKBKBCYP1A2CYP2C9TSHR | |
| SCHEMBL14964014 | 0.82 | ENPP3 (0.43) | CYP2C9CYP2C19MAPK14HDAC8 | |
| SCHEMBL14964009 | 0.81 | DHFR (0.39) | GPR84TSHRCYP1A1CYP1B1KDM4E | |
| SCHEMBL14964021 | 0.80 | ALDH1A1 (0.41) | CYP1A2TSHRHIF1AMAPK9MAPK14 | |
| SCHEMBL14964019 | 0.79 | ALDH1A1 (0.42) | CYP1A2TSHRHIF1AMAPK9MAPK14 | |
| SCHEMBL14964002 | 0.76 | CHEK1 (0.38) | KDM4EPTGS2 | |
| SCHEMBL14964003 | 0.75 | DHFR (0.44) | GPR84CYP1A2KDM4EMEN1KMT2A | |
| SCHEMBL14964007 | 0.75 | HPRT1 (0.44) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL15366918 | 0.74 | ESR1 (0.43) | GPR84CYP1A2CYP2D6CYP2C9TSHR | |
| SCHEMBL14964006 | 0.74 | MAP3K8 (0.36) | TSHRKDM4E |
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 |