Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.39 |
| ▸ | CES1 | P23141 | 3/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ERN1 | O75460 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.30 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.30 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.30 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.30 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.30 |
| ▸ | TRPV6 | Q9H1D0 | 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 | |
|---|---|---|---|---|
| SCHEMBL28268162 | 0.83 | CES2 (0.36) | CES2CES1BCHEHPGDERN1 | |
| SCHEMBL2376166 | 0.80 | CES2 (0.34) | CES2CES1BCHEHPGDENPP2 | |
| SCHEMBL29399046 | 0.79 | CES2 (0.43) | CES2CES1BCHEHPGDERN1 | |
| SCHEMBL4384 | 0.79 | CES2 (0.43) | CES2CES1BCHEHPGDERN1 | |
| SCHEMBL1074082 | 0.79 | CES2 (0.43) | CES2CES1BCHEHPGDERN1 | |
| Hydrochloric Acid SCHEMBL29017070 | 0.77 | CES2 (0.41) | CES2CES1BCHEHPGDERN1 | |
| SCHEMBL18642254 | 0.75 | CES2 (0.31) | CES2CES1BCHE | |
| SCHEMBL1359168 | 0.74 | CES2 (0.41) | CES2CES1BCHEHPGDERN1 | |
| SCHEMBL30464898 | 0.74 | CES2 (0.41) | CES2CES1BCHEHPGDERN1 | |
| SCHEMBL31282464 | 0.74 | CES2 (0.41) | CES2CES1BCHEHPGDERN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0440082-B1 | Method for the conversion of fluorinated aromatic compounds using electrophiles | MERCK PATENT GMBH (DE) | 1998-04-15 | — | — | EP | disclosed |
| US-5262556-A | Alkylation or hydroxyalkylation by deprotonation | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-11-16 | — | — | US | disclosed |
| EP-0440082-A2 | Method for the conversion of fluorinated aromatic compounds using electrophiles | MERCK PATENT GmbH (DE) | 1991-08-07 | — | — | EP | disclosed |