Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.57 |
| ▸ | CES1 | P23141 | 2/20 | 0.57 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.44 |
| ▸ | CHRNG | P07510 | 1/20 | 0.44 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.44 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | CHRND | Q07001 | 1/20 | 0.44 |
| ▸ | KCNQ3 | O43525 | 4/20 | 0.41 |
| ▸ | KCNQ2 | O43526 | 4/20 | 0.41 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.40 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.40 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9518686 | 0.86 | CES2 (0.59) | CES2CES1CHRNA1CHRNGCHRNB1 | |
| SCHEMBL9517513 | 0.85 | KCNQ3 (0.45) | CES2CES1CHRNA3KCNQ3KCNQ2 | |
| SCHEMBL9516582 | 0.84 | CES2 (0.57) | CES2CES1CHRNA1CHRNGCHRNB1 | |
| SCHEMBL15920928 | 0.83 | CES1 (0.61) | CES2CES1CHRNA1CHRNGCHRNB1 | |
| SCHEMBL13543170 | 0.78 | CES2 (0.59) | CES2CES1CHRNA1CHRNGCHRNB1 | |
| SCHEMBL9516563 | 0.74 | CES1 (0.59) | CES2CES1MEN1KMT2APLA2G7 | |
| SCHEMBL192962 | 0.74 | CES2 (0.67) | CES2CES1CHRNA1CHRNGCHRNB1 | |
| SCHEMBL29470947 | 0.74 | CES2 (0.67) | CES2CES1CHRNA1CHRNGCHRNB1 | |
| SCHEMBL29798141 | 0.73 | CES1 (1.00) | CES2CES1CHRNA1CHRNGCHRNB1 | |
| SCHEMBL7967901 | 0.73 | CES2 (0.73) | CES2CES1CHRNA1CHRNGCHRNB1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105254519-B | Synthesizing method of sitagliptin key intermediate | 常州吉恩药业有限公司 | 2017-05-17 | — | — | CN | disclosed |
| EP-0411252-B1 | Process for the preparation of fluorobenzoic acids | RIEDEL DE HAEN AG (DE) | 1993-11-03 | — | — | EP | disclosed |
| US-5093529-A | Process for the preparation of fluorinated benzoic acids | CASSELLA AKTIENGESELLSCHAFT (DE) | 1992-03-03 | — | — | US | disclosed |
| EP-0411252-A1 | Process for the preparation of fluorobenzoic acids | RIEDEL-DE HAEN AKTIENGESELLSCHAFT (DE) | 1991-02-06 | — | — | EP | disclosed |