Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPRT1 | P00492 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.40 |
| ▸ | HPGD | P15428 | 5/20 | 0.40 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | AHR | P35869 | 1/20 | 0.39 |
| ▸ | DHFR | P00374 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14964003 | 0.92 | DHFR (0.44) | ALDH1A1HSD17B10CYP1A2HPGDMAOA | |
| SCHEMBL14964009 | 0.85 | DHFR (0.39) | ALDH1A1HSD17B10HPGDDHFRTSHR | |
| SCHEMBL14964014 | 0.84 | ENPP3 (0.43) | DHFRCYP2C9CYP2C19 | |
| SCHEMBL14964021 | 0.81 | ALDH1A1 (0.41) | HPRT1ALDH1A1HSD17B10CYP1A2HPGD | |
| SCHEMBL14964019 | 0.79 | ALDH1A1 (0.42) | HPRT1ALDH1A1HSD17B10CYP1A2HPGD | |
| SCHEMBL8466404 | 0.75 | HPRT1 (0.52) | HPRT1ALDH1A1HSD17B10CYP1A2HPGD | |
| SCHEMBL14964005 | 0.75 | GAA (0.41) | ALDH1A1HSD17B10CYP1A2HPGDCYP2A6 | |
| SCHEMBL12278071 | 0.75 | HPRT1 (0.52) | HPRT1ALDH1A1HSD17B10CYP1A2HPGD | |
| SCHEMBL14964008 | 0.75 | GPR84 (0.38) | CYP1A2TSHRHIF1AMEN1KMT2A | |
| SCHEMBL29918191 | 0.73 | CYP1A2 (0.50) | HPRT1ALDH1A1HSD17B10CYP1A2HPGD |
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 |