Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.50 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.50 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | TYR | P14679 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | ATP12A | P54707 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL38250 | 1.00 | HCAR2 (0.50) | HCAR2KEAP1NFE2L2CA12CA1 | |
| SCHEMBL9129957 | 0.98 | HCAR2 (0.48) | HCAR2KEAP1NFE2L2NPSR1NR1H4 | |
| SCHEMBL5608734 | 0.98 | HCAR2 (0.48) | HCAR2KEAP1NFE2L2NPSR1NR1H4 | |
| SCHEMBL9064096 | 0.98 | HCAR2 (0.48) | HCAR2KEAP1NFE2L2NPSR1NR1H4 | |
| SCHEMBL9129967 | 0.98 | HCAR2 (0.48) | HCAR2KEAP1NFE2L2NPSR1NR1H4 | |
| SCHEMBL1718737 | 0.91 | — | — | |
| SCHEMBL29263941 | 0.91 | HCAR2 (0.55) | HCAR2KEAP1NFE2L2CA12CA1 | |
| SCHEMBL1718738 | 0.91 | — | — | |
| SCHEMBL24627668 | 0.83 | HCAR2 (0.50) | HCAR2KEAP1NFE2L2CA12CA1 | |
| SCHEMBL9586151 | 0.82 | HCAR2 (0.44) | HCAR2KEAP1NFE2L2CA12CA1 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107759623-B | Intermediate of JAK inhibitor and preparation method thereof | 苏州旺山旺水生物医药有限公司 | 2020-08-14 | — | — | CN | claimed |
| CN-103242796-B | Ultraviolet curing liquid state optical cement and preparation method thereof | NICHETECH SHANTOU CO LTD | 2015-02-25 | — | — | CN | claimed |
| CN-119306753-A | Methods for preparing JAK inhibitors and related intermediate compounds | 因西特控股公司 | 2025-01-14 | — | — | CN | disclosed |
| CN-108395433-B | Methods for preparing JAK inhibitors and related intermediate compounds | 因西特控股公司 | 2024-10-22 | — | — | CN | disclosed |
| CN-114214375-B | Process for the preparation of (R) -3- (4-halo-1H-pyrazol-1-yl) -3-cyclopentylpropionate | 江苏威凯尔医药科技有限公司 | 2024-03-19 | — | — | CN | disclosed |
| WO-2023125373-A1 | METHOD FOR PREPARING RUXOLITINIB AND INTERMEDIATE THEREOF | 江苏威凯尔医药科技有限公司 | 2023-07-06 | — | — | WO | disclosed |
| CN-114214375-A | Preparation method of (R) -3- (4-halo-1H-pyrazol-1-yl) -3-cyclopentyl propionate | 江苏威凯尔医药科技有限公司 | 2022-03-22 | — | — | CN | disclosed |
| CN-107759601-B | Preparation method of JAK inhibitor and salt thereof | 苏州旺山旺水生物医药有限公司 | 2020-09-11 | — | — | CN | disclosed |
| CN-107759623-B | Intermediate of JAK inhibitor and preparation method thereof | 苏州旺山旺水生物医药有限公司 | 2020-08-14 | — | — | CN | disclosed |
| CN-107759623-A | Intermediate of JAK inhibitor and preparation method thereof | 苏州旺山旺水生物医药有限公司 | 2018-03-06 | — | — | CN | disclosed |
| CN-107759601-A | A kind of preparation method of JAK inhibitor and its salt | 苏州旺山旺水生物医药有限公司 | 2018-03-06 | — | — | CN | disclosed |
| CN-103242796-B | Ultraviolet curing liquid state optical cement and preparation method thereof | NICHETECH SHANTOU CO LTD | 2015-02-25 | — | — | CN | disclosed |
| WO-2011151436-A2 | NOVEL COMPOUNDS, METHOD FOR USE THEM AND PHARMACEUTICAL COMPOSITION CONTAINING THEM | EUROSCREEN S.A. (BE) | 2011-12-08 | — | — | WO | disclosed |
| CN-101193882-B | N-Formyl Hydroxylamine Compounds as PDF Inhibitors | NOVARTIS AG | 2011-09-07 | — | — | CN | disclosed |
| CN-101395148-A | N-formyl hydroxylamine compounds | NOVARTIS AG (CH) | 2009-03-25 | — | — | CN | disclosed |
| CN-101193882-A | N-formyl hydroxylamine compounds as PDF inhibitors | NOVARTIS AG (CH) | 2008-06-04 | — | — | CN | disclosed |