Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 5/20 | 0.45 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.45 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.36 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.36 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.36 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8616648 | 0.84 | HDAC4 (0.50) | CA12CA1CA2CA7PDK2 | |
| SCHEMBL8621898 | 0.81 | TAS2R14 (0.44) | NOTUMCES2KDM4EALDH1A1MAPT | |
| SCHEMBL22023074 | 0.81 | CFTR (0.50) | CFTRNOTUMKDRCES2CA12 | |
| SCHEMBL22023077 | 0.81 | CFTR (0.53) | CFTRNOTUMKDRCES2CA12 | |
| SCHEMBL25269151 | 0.79 | CFTR (0.44) | CFTRNOTUMKDRCES2CA12 | |
| SCHEMBL30230910 | 0.79 | CFTR (0.44) | CFTRNOTUMKDRCES2CA12 | |
| SCHEMBL1235475 | 0.79 | CFTR (0.46) | CFTRNOTUMKDRCES2CA12 | |
| SCHEMBL19669443 | 0.79 | CFTR (0.46) | CFTRNOTUMKDRCES2CA12 | |
| SCHEMBL28300853 | 0.79 | TSHR (0.50) | SMN1; SMN2LMNATSHRKDM4EALDH1A1 | |
| SCHEMBL20711421 | 0.77 | CFTR (0.45) | CFTRNOTUMKDRCES2CA12 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107162995-A | The synthetic method of isoxaflutole | 无锡市稼宝药业有限公司 | 2017-09-15 | — | — | CN | claimed |
| CN-105712944-B | A kind of preparation method of isoxazole compounds and its intermediate | 浙江省诸暨合力化学对外贸易有限公司 | 2018-08-21 | — | — | CN | disclosed |
| CN-107540583-A | A kind of method for synthesizing the trifluoromethylbenzoic acid ethyl ester of 2 methyl mercapto 4 | 连云港世杰农化有限公司 | 2018-01-05 | — | — | CN | disclosed |
| CN-107417637-A | A kind of method of synthesizing isoxazole humulone | 连云港世杰农化有限公司 | 2017-12-01 | — | — | CN | disclosed |
| CN-107162995-A | The synthetic method of isoxaflutole | 无锡市稼宝药业有限公司 | 2017-09-15 | — | — | CN | disclosed |
| CN-105712944-A | Preparation method of isoxazole compound and isoxazole compound intermediate | 浙江省诸暨合力化学对外贸易有限公司 | 2016-06-29 | — | — | CN | disclosed |
| US-5744021-A | 2-alkylmercapto-4-(trifluoromethyl)benzoic esters and a process for their preparation | HOECHST AG (DE) | 1998-04-28 | — | — | US | disclosed |