Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.70 |
| ▸ | CES1 | P23141 | 3/20 | 0.70 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.46 |
| ▸ | CHRNG | P07510 | 1/20 | 0.46 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.46 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | CHRND | Q07001 | 1/20 | 0.46 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.44 |
| ▸ | KCNQ3 | O43525 | 4/20 | 0.43 |
| ▸ | KCNQ2 | O43526 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL17369438 | 0.84 | CES2 (0.52) | CES2CES1MEN1KMT2A | |
| SCHEMBL17369440 | 0.82 | CES2 (0.54) | CES2CES1CYP11B1CYP11B2 | |
| SCHEMBL29798141 | 0.82 | CES1 (1.00) | CES2CES1MEN1KMT2ACHRNA1 | |
| SCHEMBL7967901 | 0.82 | CES2 (0.73) | CES2CES1MEN1KMT2ACHRNA1 | |
| SCHEMBL10701917 | 0.81 | CES2 (0.46) | CES2CES1RAB9A | |
| SCHEMBL5685055 | 0.80 | CES2 (0.70) | CES2CES1MEN1KMT2ACHRNA1 | |
| SCHEMBL29349680 | 0.80 | CES2 (0.70) | CES2CES1MEN1KMT2ACHRNA1 | |
| SCHEMBL27151 | 0.80 | CES2 (0.70) | CES2CES1MEN1KMT2ACHRNA1 | |
| SCHEMBL10703579 | 0.79 | HDAC1 (0.63) | CES2CES1MEN1KMT2AKCNQ3 | |
| SCHEMBL9693915 | 0.79 | KCNQ3 (0.47) | CES2CES1MEN1KMT2AKCNQ3 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4026651-A | — | — | None | — | — | JP | disclosed |
| CN-1328238-C | Preparation of 2,4,5-trifluo-benzoic acid | LUYUAN PHARMACEUTICAL CO LTD D (CN) | 2007-07-25 | — | — | CN | disclosed |
| CN-1746146-A | Preparation of 2,4,5-trifluo-benzoic acid | LUYUAN PHARMACEUTICAL CO LTD D (CN) | 2006-03-15 | — | — | CN | disclosed |
| EP-0270964-B1 | PROCESS FOR OBTAINING SUBSTITUTED FLUOROBENZENES | BAYER AG (DE) | 1992-07-08 | — | — | EP | disclosed |
| JP-H0426651-A | 3,4-DIFLUOROBENZOYLFLUORIDE AND PRODUCTION THEREOF | ASAHI GLASS CO LTD | 1992-01-29 | — | — | JP | disclosed |
| US-4868347-A | SOLVENT EXTRACTION | BAYER AKTIENGESELLSCHAFT (DE) | 1989-09-19 | — | — | US | disclosed |
| EP-0293747-A2 | Process for the preparation of fluoride-substituted carboxylic-acid chlorides | BASF Aktiengesellschaft (DE) | 1988-12-07 | — | — | EP | disclosed |
| EP-0270964-A2 | Process for obtaining substituted fluorobenzenes | BAYER AG (DE) | 1988-06-15 | — | — | EP | disclosed |
| US-4420433-A | REACTION WITH SILICON TETRACHLORIDE OR TITANIUM TETRACHLORIDE | BAYER AKTIENGESELLSCHAFT (DE) | 1983-12-13 | — | — | US | disclosed |
| EP-0071065-A1 | Process for the preparation of fluorine-substituted carboxylic-acid chlorides and aldehydes | BAYER AG (DE) | 1983-02-09 | — | — | EP | disclosed |