Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 3/20 | 0.33 |
| ▸ | CA2 | P00918 | 3/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14393304 | 0.78 | CA12 (0.52) | TSHRCA1CA2PKMSMN1; SMN2 | |
| SCHEMBL521961 | 0.75 | CA12 (0.54) | MAPK1TSHRESR1CA1CA2 | |
| SCHEMBL1029288 | 0.73 | CES2 (0.40) | MAPK1TSHRCES2CES1ESR1 | |
| SCHEMBL776289 | 0.73 | CES2 (0.40) | MAPK1TSHRCES2CES1ESR1 | |
| SCHEMBL247169 | 0.73 | CES2 (0.40) | MAPK1TSHRCES2CES1ESR1 | |
| Ammonia Solution, Strong SCHEMBL27753144 | 0.72 | TSHR (0.36) | MAPK1TSHRESR1CA1CA2 | |
| SCHEMBL2838186 | 0.70 | MEN1 (0.35) | MAPK1TSHRESR1CA1CA2 | |
| SCHEMBL14258775 | 0.69 | PKM (0.44) | MAPK1TSHRESR1CA1CA2 | |
| SCHEMBL2835179 | 0.69 | PKM (0.33) | MAPK1TSHRESR1CA1CA2 | |
| SCHEMBL1719721 | 0.69 | TSHR (0.59) | MAPK1TSHRCES2CES1ESR1 |
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-5639921-A | Method of producing difluoromethyl ethers and esters and ethers and esters produced thereby | SOLVAY FLUOR UND DERIVATE GMBH (DE) | 1997-06-17 | — | — | US | disclosed |
| US-5455371-A | Method of producing difluoromethyl ethers and esters and ethers and esters produced thereby | SOLVAY FLUOR UND DERIVATIVE GMBH (DE) | 1995-10-03 | — | — | US | disclosed |