Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | ESR1 | P03372 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | SCN1A | P35498 | 2/20 | 0.46 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.46 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.41 |
| ▸ | HTR3B | O95264 | 1/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.41 |
| ▸ | HTR3A | P46098 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL22288733 | 0.94 | TSHR (0.58) | GAAHTTTSHRALDH1A1ESR1 | |
| SCHEMBL1535633 | 0.94 | GAA (0.61) | GAAHTTTSHRALDH1A1ESR1 | |
| SCHEMBL14372130 | 0.91 | GAA (0.52) | GAAHTTTSHRALDH1A1ESR1 | |
| SCHEMBL18238049 | 0.91 | GAA (0.52) | GAAHTTTSHRALDH1A1ESR1 | |
| SCHEMBL13554333 | 0.88 | SCN1A (0.56) | GAAHTTTSHRALDH1A1ESR1 | |
| SCHEMBL20711670 | 0.88 | GAA (0.56) | GAAHTTTSHRALDH1A1ESR1 | |
| SCHEMBL13126360 | 0.88 | TSHR (0.57) | GAAHTTTSHRALDH1A1ESR1 | |
| SCHEMBL19884630 | 0.87 | TSHR (0.52) | GAAHTTTSHRALDH1A1ESR1 | |
| SCHEMBL11158374 | 0.87 | CYP2D6 (0.57) | GAAHTTTSHRALDH1A1ESR1 | |
| SCHEMBL26807591 | 0.87 | PTPN2 (0.55) | GAAHTTTSHRALDH1A1ESR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9920248-B2 | Compounds and liquid-crystalline medium | MERCK PATENT GMBH (DE) | 2018-03-20 | — | — | US | disclosed |