Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.64 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.64 |
| ▸ | CDC25B | P30305 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CDC25A | P30304 | 1/20 | 0.47 |
| ▸ | CDC25C | P30307 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL578128 | 0.87 | TSHR (0.77) | TSHRALDH1A1HSD17B10CDC25BKDM4E | |
| SCHEMBL11152734 | 0.86 | TSHR (0.59) | TSHRALDH1A1HSD17B10CDC25BKMT2A | |
| SCHEMBL6600799 | 0.86 | TSHR (0.65) | TSHRALDH1A1HSD17B10CDC25BKDM4E | |
| SCHEMBL12407026 | 0.85 | TSHR (0.58) | TSHRALDH1A1HSD17B10CDC25BKDM4E | |
| SCHEMBL7670783 | 0.84 | TSHR (0.71) | TSHRALDH1A1HSD17B10CDC25BKDM4E | |
| SCHEMBL7669334 | 0.84 | TSHR (0.71) | TSHRALDH1A1HSD17B10CDC25BKDM4E | |
| SCHEMBL27799475 | 0.83 | TSHR (0.50) | TSHRALDH1A1HSD17B10TDP1L3MBTL1 | |
| Diethyl Phthalate SCHEMBL29404255 | 0.82 | TSHR (1.00) | TSHRALDH1A1HSD17B10CDC25BKDM4E | |
| Diethyl Phthalate SCHEMBL22296 | 0.82 | TSHR (1.00) | TSHRALDH1A1HSD17B10CDC25BKDM4E | |
| Diethyl Phthalate SCHEMBL5306972 | 0.82 | TSHR (1.00) | TSHRALDH1A1HSD17B10CDC25BKDM4E |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107096036-A | A kind of preparation method and applications of pH responsive types hyaluronic acid Doxorubicin nano-prodrug | 武汉理工大学 | 2017-08-29 | — | — | CN | claimed |
| US-4443475-A | ANTIARRHYTHMIA AGENTS, ANTIDEPRESSANTS | CAVAZZA CLAUDIO (IT) | 1984-04-17 | — | — | US | claimed |
| CN-114956933-A | Marker containing isotope oxygen atom and preparation method and application thereof | 清华大学 | 2022-08-30 | — | — | CN | disclosed |
| CN-107001271-B | Hydroxyamidine derivative, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2019-05-10 | — | — | CN | disclosed |
| CN-108794492-A | Diaza * and carbazoles IDO inhibitor and its application | 南京众慧网络科技有限公司 | 2018-11-13 | — | — | CN | disclosed |
| CN-108623488-A | A kind of synthetic method of aminomethylbenzoic acid | 湖南文理学院 | 2018-10-09 | — | — | CN | disclosed |
| CN-107663202-A | 3- (ureido-methyl) -4-aryl-pyridine derivative, preparation method thereof and application thereof as anti-liver cancer drug | 西华大学 | 2018-02-06 | — | — | CN | disclosed |
| CN-107096036-A | A kind of preparation method and applications of pH responsive types hyaluronic acid Doxorubicin nano-prodrug | 武汉理工大学 | 2017-08-29 | — | — | CN | disclosed |
| CN-107001271-A | Hydroxyamidine derivative, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2017-08-01 | — | — | CN | disclosed |
| CN-104016942-B | Thiazolinone analog derivative and pharmaceutical composition thereof and application | TIANJIN MEDICAL UNIVERSITY (CN) | 2016-02-24 | — | — | CN | disclosed |
| EP-2604595-A1 | TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOUND THAT CONTAINS SAME AND EXHIBITS ANALGESIC ACTIVITY | Shionogi&Co., Ltd. (JP) | 2013-06-19 | — | — | EP | disclosed |