Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.61 |
| ▸ | CES2 | O00748 | 2/20 | 0.52 |
| ▸ | CES1 | P23141 | 2/20 | 0.52 |
| ▸ | PARP1 | P09874 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Chlorobenzene SCHEMBL27488158 | 0.97 | TSHR (0.65) | TSHRCES2CES1PARP1MAPT | |
| Chlorobenzene SCHEMBL9576941 | 0.92 | TSHR (0.65) | TSHRCES2CES1PARP1MAPT | |
| Chlorobenzene SCHEMBL27555909 | 0.86 | TSHR (0.58) | TSHRCES2CES1PARP1MAPT | |
| Chlorobenzene SCHEMBL10495752 | 0.86 | TSHR (0.58) | TSHRCES2CES1PARP1MAPT | |
| Chlorobenzene SCHEMBL29172530 | 0.85 | TSHR (0.73) | TSHRCES2CES1MAPTL3MBTL1 | |
| Chlorobenzene SCHEMBL2533883 | 0.85 | TSHR (0.73) | TSHRCES2CES1MAPTL3MBTL1 | |
| Chlorobenzene SCHEMBL27620795 | 0.85 | TSHR (0.73) | TSHRCES2CES1MAPTL3MBTL1 | |
| Chlorobenzene SCHEMBL28868946 | 0.84 | TSHR (0.48) | TSHRCES2CES1PARP1MAPT | |
| Chlorobenzene SCHEMBL28073886 | 0.84 | TSHR (0.48) | TSHRCES2CES1PARP1MAPT | |
| Chlorobenzene SCHEMBL28007364 | 0.83 | TSHR (0.61) | TSHRCES2CES1MAPTL3MBTL1 |
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-106163524-B | 7-benzyl-4- (2-methylbenzyl) -2,4,6,7,8, 9-hexahydroimidazo [1,2-a ] pyrido [3,4-e ] pyrimidin-5 (1H) -one, salts thereof, and methods of use | 昂克希尔迪克斯有限公司 | 2019-11-08 | — | — | CN | disclosed |
| CN-108069963-A | Pyridopyrimidine derivatives or its salt and its preparation method, pharmaceutical composition and purposes | 清华大学 | 2018-05-25 | — | — | CN | disclosed |
| CN-106727486-A | Treatment or the method for prevention fatigue | 爱思开生物制药株式会社 | 2017-05-31 | — | — | CN | disclosed |
| CN-106163524-A | 7-benzyl-4- (2-methylbenzyl) -2,4,6,7,8, 9-hexahydroimidazo [1,2-a ] pyrido [3,4-e ] pyrimidin-5 (1H) -one, salts thereof, and methods of use | 昂克希尔迪克斯有限公司 | 2016-11-23 | — | — | CN | disclosed |
| CN-101568544-B | Solid forms comprising 4- [9- (tetrahydro-furan-3-yl) -8- (2,4, 6-trifluoro-phenylamino) -9H-purin-2-ylamino ] -cyclohexan-1-ol, compositions thereof, and uses thereof | 西格诺药品有限公司 | 2016-10-26 | — | — | CN | disclosed |
| CN-101573141-A | Polymers for functional particles | MASSACHUSETTS INST TECHNOLOGY (US) | 2009-11-04 | — | — | CN | disclosed |
| CN-1684642-A | Drug release from an antithrombotic multilayer coated stent | MEDIPLEX CORP (KR) | 2005-10-19 | — | — | CN | disclosed |