Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.50 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.50 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | PLK1 | P53350 | 1/20 | 0.47 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | GRIA1 | P42261 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL31672177 | 1.00 | VCAM1 (0.58) | VCAM1ALDH1A1ALOX15CYP3A4HPGD | |
| SCHEMBL31672176 | 1.00 | VCAM1 (0.58) | VCAM1ALDH1A1ALOX15CYP3A4HPGD | |
| SCHEMBL22749360 | 0.87 | VCAM1 (0.55) | VCAM1ALDH1A1ALOX15CYP3A4HPGD | |
| SCHEMBL8762851 | 0.85 | ALDH1A1 (0.51) | ALDH1A1ALOX15CYP3A4HPGDTSHR | |
| SCHEMBL24750303 | 0.84 | VCAM1 (0.49) | VCAM1ALDH1A1CYP3A4HPGDTDP1 | |
| SCHEMBL29938779 | 0.84 | VCAM1 (0.49) | VCAM1ALDH1A1CYP3A4HPGDTDP1 | |
| SCHEMBL9359167 | 0.83 | VCAM1 (0.63) | VCAM1ALDH1A1ALOX15CYP3A4HPGD | |
| SCHEMBL8968754 | 0.83 | VCAM1 (0.58) | VCAM1ALDH1A1ALOX15HPGDTDP1 | |
| SCHEMBL4596350 | 0.78 | KIF11 (0.51) | VCAM1ALDH1A1ALOX15CYP3A4HPGD | |
| SCHEMBL29942185 | 0.78 | ALDH1A1 (0.60) | ALDH1A1ALOX15CYP3A4HPGDTSHR |
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 283 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119977852-A | Synthesis method of 2-methylsulfonyl-4-trifluoromethyl benzoic acid | 山东极地医药科技有限公司 | 2025-05-13 | — | — | CN | claimed |
| CN-117658818-B | Preparation method of 4-fluoro-3-nitrobenzotrifluoride | 江西巍华化学有限公司 | 2025-02-07 | — | — | CN | claimed |
| CN-118184597-A | Preparation method of isoxaflutole | 北京颖泰嘉和生物科技股份有限公司 | 2024-06-14 | — | — | CN | claimed |
| CN-117820166-A | Preparation method of 2-nitro-4- (trifluoromethyl) benzonitrile | 浙江巍华新材料股份有限公司 | 2024-04-05 | — | — | CN | claimed |
| CN-117658818-A | Preparation method of 4-fluoro-3-nitrobenzotrifluoride | 江西巍华化学有限公司 | 2024-03-08 | — | — | CN | claimed |
| CN-117658854-A | Preparation method of 2-nitro-4-trifluoromethyl benzonitrile | 江西巍华化学有限公司 | 2024-03-08 | — | — | CN | claimed |
| CN-114907232-B | Synthesis process of 2-nitro-4-trifluoromethyl benzonitrile | 青岛和兴精细化学有限公司 | 2024-02-23 | — | — | CN | claimed |
| CN-117466770-A | Preparation method of 2-nitro-4- (trifluoromethyl) benzonitrile | 北京颖泰嘉和生物科技股份有限公司 | 2024-01-30 | — | — | CN | claimed |
| CN-218901828-U | Cyanidation reaction kettle for preparing 2-nitro-4-trifluoromethyl benzonitrile | 青岛和兴精细化学有限公司 | 2023-04-25 | — | — | CN | claimed |
| CN-218502362-U | High-sealing centrifugal machine for preparing 2-nitro-4-trifluoromethyl benzonitrile | 青岛和兴精细化学有限公司 | 2023-02-21 | — | — | CN | claimed |
| CN-104926691-B | The preparation method of the trifluoromethylbenzonitrile of 2 nitro 4 | 江苏省农用激素工程技术研究中心有限公司 | 2018-01-19 | — | — | CN | claimed |
| CN-106565621-A | Isoxaflutole synthesizing method | 上虞颖泰精细化工有限公司 | 2017-04-19 | — | — | CN | claimed |
| CN-104098486-B | A kind of preparation method of 2-nitro-4-trifluoromethylbenzonitrile | ZHEJIANG UNIVERSITY (CN) | 2016-02-17 | — | — | CN | claimed |
| CN-105175282-A | Preparation method for 2-nitro-4-(trifluoromethyl)benzonitrile | QINGDAO UNION FINE CHEMICAL CO LTD | 2015-12-23 | — | — | CN | claimed |
| CN-104926691-A | Preparation method of 2-nitro-4-trifluoromethylbenzonitrile | JIANGSU AGROCHEM LAB CO LTD | 2015-09-23 | — | — | CN | claimed |
| CN-104098486-A | Preparation method for 2-nitro-4-trifluoromethyl cyanobenzene | UNIV ZHEJIANG | 2014-10-15 | — | — | CN | claimed |
| EP-0758643-B1 | Process for the preparation of ortho-nitro-benzonitriles | CLARIANT GMBH (DE) | 2000-05-17 | — | — | EP | claimed |
| US-5705674-A | Process for preparing ortho-nitrobenzonitriles | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-01-06 | — | — | US | claimed |
| EP-0758643-A2 | Process for the preparation of ortho-nitro-benzonitriles | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-02-19 | — | — | EP | claimed |
| US-4868333-A | Production of 2-nitro-4-trifluoromethylbenzoic acid | ICI AMERICAS INC. (US) | 1989-09-19 | — | — | US | claimed |