Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.58 |
| ▸ | CES1 | P23141 | 2/20 | 0.58 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.51 |
| ▸ | CHRNG | P07510 | 1/20 | 0.51 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.51 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.51 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.51 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.51 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.51 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.51 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.51 |
| ▸ | CHRND | Q07001 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | 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 |
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 | |
|---|---|---|---|---|
| SCHEMBL9516567 | 0.86 | CES2 (0.59) | CES2CES1CHRNA1CHRNGCHRNB1 | |
| SCHEMBL15094383 | 0.83 | CES2 (0.68) | CES2CES1CHRNA1CHRNGCHRNB1 | |
| SCHEMBL9227046 | 0.82 | CHRNA1 (0.58) | CES2CES1CHRNA1CHRNGCHRNB1 | |
| SCHEMBL9226597 | 0.81 | CES2 (0.54) | CES2CES1CHRNA1CHRNGCHRNB1 | |
| SCHEMBL3860137 | 0.78 | CHRNA1 (0.62) | CES2CES1CHRNA1CHRNGCHRNB1 | |
| SCHEMBL2319435 | 0.77 | CES2 (0.52) | CES2CES1SLC6A2SLC6A3SMN1; SMN2 | |
| SCHEMBL29170482 | 0.77 | CES2 (0.52) | CES2CES1SLC6A2SLC6A3SMN1; SMN2 | |
| SCHEMBL10361690 | 0.77 | CES2 (0.52) | CES2CES1GAAMEN1KMT2A | |
| SCHEMBL6955765 | 0.76 | CES2 (0.62) | CES2CES1CHRNA1CHRNGCHRNB1 | |
| SCHEMBL13451356 | 0.76 | CES2 (0.53) | 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 6 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 | claimed |
| CN-105254519-A | Synthesizing method of sitagliptin key intermediate | GENCHEM & GENPHARM CHANGZHOU CO LTD | 2016-01-20 | — | — | CN | claimed |
| 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 |